2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine

C127H138Cl2F6N32O5 — CID 158990421

IUPAC2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
SMILESC/C=C\C1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3c(F)cc4c(cc(C)n4C)c3F)n2)=NC1.C/C=C\C1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.C/C=C\C1=CC(Nc2cc(N3CCNCC3)nc(Oc3c(F)cc4c(c3F)C=C(C)C4)n2)=NC1.C/C=C\C1=CC(Nc2cc(N3CCNCC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CN1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3c(F)cc4c(ccn4C)c3F)n2)CC1
InChIInChI=1S/C26H29ClN6O.C26H29F2N7O.C25H27ClN6O.C25H27F2N7O.C25H26F2N6O/c1-4-5-18-14-22(28-16-18)29-23-15-24(33-10-8-32(3)9-11-33)31-26(30-23)34-21-7-6-19-12-17(2)13-20(19)25(21)27;1-5-6-17-12-21(29-15-17)30-22-14-23(35-9-7-33(3)8-10-35)32-26(31-22)36-25-19(27)13-20-18(24(25)28)11-16(2)34(20)4;1-3-4-17-13-21(28-15-17)29-22-14-23(32-9-7-27-8-10-32)31-25(30-22)33-20-6-5-18-11-16(2)12-19(18)24(20)26;1-32-7-9-34(10-8-32)22-13-21(29-20-11-16(14-28-20)15-3-4-15)30-25(31-22)35-24-18(26)12-19-17(23(24)27)5-6-33(19)2;1-3-4-16-11-20(29-14-16)30-21-13-22(33-7-5-28-6-8-33)32-25(31-21)34-24-19(26)12-17-9-15(2)10-18(17)23(24)27/h4-7,13-15H,8-12,16H2,1-3H3,(H,28,29,30,31);5-6,11-14H,7-10,15H2,1-4H3,(H,29,30,31,32);3-6,12-14,27H,7-11,15H2,1-2H3,(H,28,29,30,31);5-6,11-13,15H,3-4,7-10,14H2,1-2H3,(H,28,29,30,31);3-4,10-13,28H,5-9,14H2,1-2H3,(H,29,30,31,32)/b5-4-;6-5-;4-3-;;4-3-
InChIKeyJQCAMYWNVMMEAE-APXXTRNLSA-N
MW2377.61 g/mol
LogP22.20
Rot. Bonds25

About 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine

2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine (PubChem CID 158990421) has the molecular formula C127H138Cl2F6N32O5 and a molecular weight of 2377.61 g/mol. Its IUPAC name is 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
PubChem CID158990421
Molecular FormulaC127H138Cl2F6N32O5
Molecular Weight2377.61 g/mol
Exact Mass2375.08
IUPAC Name2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
SMILESC/C=C\C1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3c(F)cc4c(cc(C)n4C)c3F)n2)=NC1.C/C=C\C1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.C/C=C\C1=CC(Nc2cc(N3CCNCC3)nc(Oc3c(F)cc4c(c3F)C=C(C)C4)n2)=NC1.C/C=C\C1=CC(Nc2cc(N3CCNCC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CN1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3c(F)cc4c(ccn4C)c3F)n2)CC1
InChIInChI=1S/C26H29ClN6O.C26H29F2N7O.C25H27ClN6O.C25H27F2N7O.C25H26F2N6O/c1-4-5-18-14-22(28-16-18)29-23-15-24(33-10-8-32(3)9-11-33)31-26(30-23)34-21-7-6-19-12-17(2)13-20(19)25(21)27;1-5-6-17-12-21(29-15-17)30-22-14-23(35-9-7-33(3)8-10-35)32-26(31-22)36-25-19(27)13-20-18(24(25)28)11-16(2)34(20)4;1-3-4-17-13-21(28-15-17)29-22-14-23(32-9-7-27-8-10-32)31-25(30-22)33-20-6-5-18-11-16(2)12-19(18)24(20)26;1-32-7-9-34(10-8-32)22-13-21(29-20-11-16(14-28-20)15-3-4-15)30-25(31-22)35-24-18(26)12-19-17(23(24)27)5-6-33(19)2;1-3-4-16-11-20(29-14-16)30-21-13-22(33-7-5-28-6-8-33)32-25(31-21)34-24-19(26)12-17-9-15(2)10-18(17)23(24)27/h4-7,13-15H,8-12,16H2,1-3H3,(H,28,29,30,31);5-6,11-14H,7-10,15H2,1-4H3,(H,29,30,31,32);3-6,12-14,27H,7-11,15H2,1-2H3,(H,28,29,30,31);5-6,11-13,15H,3-4,7-10,14H2,1-2H3,(H,28,29,30,31);3-4,10-13,28H,5-9,14H2,1-2H3,(H,29,30,31,32)/b5-4-;6-5-;4-3-;;4-3-
InChIKeyJQCAMYWNVMMEAE-APXXTRNLSA-N
XLogP22.20
TPSA356.84 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds25
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002377.61
LogP ≤ 522.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 157341776
1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 158771841
2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-phenylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 157184546
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 158091878
N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine
CID 158427315
N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(3,5-dimethylpiperazin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine
CID 158427313
N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 157329954
2-[4-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[(3-methyl-2H-pyrrol-5-yl)amino]pyrimidin-4-yl]piperidin-4-yl]methanol;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]acetamide
CID 158541974
2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine
CID 158014359
2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 161189514
3-cyclopropyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 159353891
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 159735285

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine (CID 158990421) is 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine is C/C=C\C1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3c(F)cc4c(cc(C)n4C)c3F)n2)=NC1.C/C=C\C1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.C/C=C\C1=CC(Nc2cc(N3CCNCC3)nc(Oc3c(F)cc4c(c3F)C=C(C)C4)n2)=NC1.C/C=C\C1=CC(Nc2cc(N3CCNCC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CN1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3c(F)cc4c(ccn4C)c3F)n2)CC1.
What is the InChIKey of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine?
The InChIKey is JQCAMYWNVMMEAE-APXXTRNLSA-N. The full InChI is InChI=1S/C26H29ClN6O.C26H29F2N7O.C25H27ClN6O.C25H27F2N7O.C25H26F2N6O/c1-4-5-18-14-22(28-16-18)29-23-15-24(33-10-8-32(3)9-11-33)31-26(30-23)34-21-7-6-19-12-17(2)13-20(19)25(21)27;1-5-6-17-12-21(29-15-17)30-22-14-23(35-9-7-33(3)8-10-35)32-26(31-22)36-25-19(27)13-20-18(24(25)28)11-16(2)34(20)4;1-3-4-17-13-21(28-15-17)29-22-14-23(32-9-7-27-8-10-32)31-25(30-22)33-20-6-5-18-11-16(2)12-19(18)24(20)26;1-32-7-9-34(10-8-32)22-13-21(29-20-11-16(14-28-20)15-3-4-15)30-25(31-22)35-24-18(26)12-19-17(23(24)27)5-6-33(19)2;1-3-4-16-11-20(29-14-16)30-21-13-22(33-7-5-28-6-8-33)32-25(31-21)34-24-19(26)12-17-9-15(2)10-18(17)23(24)27/h4-7,13-15H,8-12,16H2,1-3H3,(H,28,29,30,31);5-6,11-14H,7-10,15H2,1-4H3,(H,29,30,31,32);3-6,12-14,27H,7-11,15H2,1-2H3,(H,28,29,30,31);5-6,11-13,15H,3-4,7-10,14H2,1-2H3,(H,28,29,30,31);3-4,10-13,28H,5-9,14H2,1-2H3,(H,29,30,31,32)/b5-4-;6-5-;4-3-;;4-3-.
What are the key properties of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine?
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine has a molecular weight of 2377.61 g/mol, XLogP of 22.20, 25 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 158990421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).