5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine

C72H72Cl3F3N18O3 — CID 162227033

IUPAC5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
SMILESCC1=Cc2c(ccc(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3Cl)c2F)C1.CC1=Cc2c(ccc(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3Cl)c2F)C1.CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(c4F)C=C(C)C5)c3Cl)nc2)CC1
InChIInChI=1S/C25H26ClFN6O.C24H24ClFN6O.C23H22ClFN6O/c1-3-32-8-10-33(11-9-32)18-5-7-21(28-14-18)31-24-22(26)25(30-15-29-24)34-20-6-4-17-12-16(2)13-19(17)23(20)27;1-15-11-16-3-5-19(22(26)18(16)12-15)33-24-21(25)23(28-14-29-24)30-20-6-4-17(13-27-20)32-9-7-31(2)8-10-32;1-14-10-15-2-4-18(21(25)17(15)11-14)32-23-20(24)22(28-13-29-23)30-19-5-3-16(12-27-19)31-8-6-26-7-9-31/h4-7,13-15H,3,8-12H2,1-2H3,(H,28,29,30,31);3-6,12-14H,7-11H2,1-2H3,(H,27,28,29,30);2-5,11-13,26H,6-10H2,1H3,(H,27,28,29,30)
InChIKeyZUWZMJLEIKRABF-UHFFFAOYSA-N
MW1400.84 g/mol
LogP14.78
Rot. Bonds16

About 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine

5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 162227033) has the molecular formula C72H72Cl3F3N18O3 and a molecular weight of 1400.84 g/mol. Its IUPAC name is 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
PubChem CID162227033
Molecular FormulaC72H72Cl3F3N18O3
Molecular Weight1400.84 g/mol
Exact Mass1398.51
IUPAC Name5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
SMILESCC1=Cc2c(ccc(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3Cl)c2F)C1.CC1=Cc2c(ccc(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3Cl)c2F)C1.CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(c4F)C=C(C)C5)c3Cl)nc2)CC1
InChIInChI=1S/C25H26ClFN6O.C24H24ClFN6O.C23H22ClFN6O/c1-3-32-8-10-33(11-9-32)18-5-7-21(28-14-18)31-24-22(26)25(30-15-29-24)34-20-6-4-17-12-16(2)13-19(17)23(20)27;1-15-11-16-3-5-19(22(26)18(16)12-15)33-24-21(25)23(28-14-29-24)30-20-6-4-17(13-27-20)32-9-7-31(2)8-10-32;1-14-10-15-2-4-18(21(25)17(15)11-14)32-23-20(24)22(28-13-29-23)30-19-5-3-16(12-27-19)31-8-6-26-7-9-31/h4-7,13-15H,3,8-12H2,1-2H3,(H,28,29,30,31);3-6,12-14H,7-11H2,1-2H3,(H,27,28,29,30);2-5,11-13,26H,6-10H2,1H3,(H,27,28,29,30)
InChIKeyZUWZMJLEIKRABF-UHFFFAOYSA-N
XLogP14.78
TPSA208.02 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001400.84
LogP ≤ 514.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 164625201
5-chloro-6-[(1,4-difluoro-6-methyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine
CID 138613764
5-fluoro-6-[(1-fluoro-5,6,8-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 138613856
4-[(1-fluoro-5,6,8-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 138613984
[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanol
CID 146704366
N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-pyridin-3-ylpiperazin-1-yl)pyrimidin-4-amine
CID 146792422
6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 147189918
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine
CID 148939081
5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 149475808
6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 157108056
bis(5-chloro-6-methyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine);hydrochloride
CID 157188773
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine
CID 157188878

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine (CID 162227033) is 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine is CC1=Cc2c(ccc(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3Cl)c2F)C1.CC1=Cc2c(ccc(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3Cl)c2F)C1.CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(c4F)C=C(C)C5)c3Cl)nc2)CC1.
What is the InChIKey of 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is ZUWZMJLEIKRABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN6O.C24H24ClFN6O.C23H22ClFN6O/c1-3-32-8-10-33(11-9-32)18-5-7-21(28-14-18)31-24-22(26)25(30-15-29-24)34-20-6-4-17-12-16(2)13-19(17)23(20)27;1-15-11-16-3-5-19(22(26)18(16)12-15)33-24-21(25)23(28-14-29-24)30-20-6-4-17(13-27-20)32-9-7-31(2)8-10-32;1-14-10-15-2-4-18(21(25)17(15)11-14)32-23-20(24)22(28-13-29-23)30-19-5-3-16(12-27-19)31-8-6-26-7-9-31/h4-7,13-15H,3,8-12H2,1-2H3,(H,28,29,30,31);3-6,12-14H,7-11H2,1-2H3,(H,27,28,29,30);2-5,11-13,26H,6-10H2,1H3,(H,27,28,29,30).
What are the key properties of 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine?
5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 1400.84 g/mol, XLogP of 14.78, 16 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 162227033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).