azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone

C81H87F3N24O6 — CID 158095408

IUPACazetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone
SMILESCCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N3CCC3)nc2)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3C(=O)N3CCC3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3C(=O)N3CCC3)ccc2[nH]1
InChIInChI=1S/C28H31FN8O2.C27H29FN8O2.C26H27FN8O2/c1-3-35-11-13-36(14-12-35)19-5-8-23(30-16-19)34-26-24(28(38)37-9-4-10-37)27(32-17-31-26)39-22-7-6-21-20(25(22)29)15-18(2)33-21;1-17-14-19-20(32-17)5-6-21(24(19)28)38-26-23(27(37)36-8-3-9-36)25(30-16-31-26)33-22-7-4-18(15-29-22)35-12-10-34(2)11-13-35;1-16-13-18-19(32-16)4-5-20(23(18)27)37-25-22(26(36)35-9-2-10-35)24(30-15-31-25)33-21-6-3-17(14-29-21)34-11-7-28-8-12-34/h5-8,15-17,33H,3-4,9-14H2,1-2H3,(H,30,31,32,34);4-7,14-16,32H,3,8-13H2,1-2H3,(H,29,30,31,33);3-6,13-15,28,32H,2,7-12H2,1H3,(H,29,30,31,33)
InChIKeyFOPKROHXRZFOLR-UHFFFAOYSA-N
MW1549.74 g/mol
LogP11.85
Rot. Bonds19

About azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone

azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone (PubChem CID 158095408) has the molecular formula C81H87F3N24O6 and a molecular weight of 1549.74 g/mol. Its IUPAC name is azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone
PubChem CID158095408
Molecular FormulaC81H87F3N24O6
Molecular Weight1549.74 g/mol
Exact Mass1548.72
IUPAC Nameazetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone
SMILESCCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N3CCC3)nc2)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3C(=O)N3CCC3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3C(=O)N3CCC3)ccc2[nH]1
InChIInChI=1S/C28H31FN8O2.C27H29FN8O2.C26H27FN8O2/c1-3-35-11-13-36(14-12-35)19-5-8-23(30-16-19)34-26-24(28(38)37-9-4-10-37)27(32-17-31-26)39-22-7-6-21-20(25(22)29)15-18(2)33-21;1-17-14-19-20(32-17)5-6-21(24(19)28)38-26-23(27(37)36-8-3-9-36)25(30-16-31-26)33-22-7-4-18(15-29-22)35-12-10-34(2)11-13-35;1-16-13-18-19(32-16)4-5-20(23(18)27)37-25-22(26(36)35-9-2-10-35)24(30-15-31-25)33-21-6-3-17(14-29-21)34-11-7-28-8-12-34/h5-8,15-17,33H,3-4,9-14H2,1-2H3,(H,30,31,32,34);4-7,14-16,32H,3,8-13H2,1-2H3,(H,29,30,31,33);3-6,13-15,28,32H,2,7-12H2,1H3,(H,29,30,31,33)
InChIKeyFOPKROHXRZFOLR-UHFFFAOYSA-N
XLogP11.85
TPSA316.32 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001549.74
LogP ≤ 511.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 122520888
[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 134573348
N-cyclopropyl-4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-5-carboxamide
CID 122520542
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 122520629
N-cyclopropyl-4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;N-cyclopropyl-4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;N-cyclopropyl-4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 158359458
(3,3-difluoroazetidin-1-yl)-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-piperazin-1-ylanilino)pyrimidin-5-yl]methanone
CID 122520882
N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide
CID 158940667
N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide
CID 134573327
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
CID 158549998
4-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carboxamide
CID 162056080
cyclopropyl-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]methanone;cyclopropyl-[4-fluoro-5-[5-fluoro-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]methanone;1-[4-fluoro-5-[5-fluoro-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]propan-1-one
CID 160901553
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 122520593

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone (CID 158095408) is azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone is CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3C(=O)N3CCC3)nc2)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3C(=O)N3CCC3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3C(=O)N3CCC3)ccc2[nH]1.
What is the InChIKey of azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is FOPKROHXRZFOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN8O2.C27H29FN8O2.C26H27FN8O2/c1-3-35-11-13-36(14-12-35)19-5-8-23(30-16-19)34-26-24(28(38)37-9-4-10-37)27(32-17-31-26)39-22-7-6-21-20(25(22)29)15-18(2)33-21;1-17-14-19-20(32-17)5-6-21(24(19)28)38-26-23(27(37)36-8-3-9-36)25(30-16-31-26)33-22-7-4-18(15-29-22)35-12-10-34(2)11-13-35;1-16-13-18-19(32-16)4-5-20(23(18)27)37-25-22(26(36)35-9-2-10-35)24(30-15-31-25)33-21-6-3-17(14-29-21)34-11-7-28-8-12-34/h5-8,15-17,33H,3-4,9-14H2,1-2H3,(H,30,31,32,34);4-7,14-16,32H,3,8-13H2,1-2H3,(H,29,30,31,33);3-6,13-15,28,32H,2,7-12H2,1H3,(H,29,30,31,33).
What are the key properties of azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone?
azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 1549.74 g/mol, XLogP of 11.85, 19 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 158095408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).