2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine

C24H27ClN8O — CID 90431650

IUPAC2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc2c(Cl)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNC(C)C4)n3)ccc2[nH]1
InChIInChI=1S/C24H27ClN8O/c1-13-9-16-17(27-13)5-6-19(23(16)25)34-24-29-20(28-21-10-18(31-32-21)15-3-4-15)11-22(30-24)33-8-7-26-14(2)12-33/h5-6,9-11,14-15,26-27H,3-4,7-8,12H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyGKLHBKRUUZXEJO-UHFFFAOYSA-N
MW478.99 g/mol
LogP4.85
Rot. Bonds6

About 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine

2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 90431650) has the molecular formula C24H27ClN8O and a molecular weight of 478.99 g/mol. Its IUPAC name is 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID90431650
Molecular FormulaC24H27ClN8O
Molecular Weight478.99 g/mol
Exact Mass478.20
IUPAC Name2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc2c(Cl)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNC(C)C4)n3)ccc2[nH]1
InChIInChI=1S/C24H27ClN8O/c1-13-9-16-17(27-13)5-6-19(23(16)25)34-24-29-20(28-21-10-18(31-32-21)15-3-4-15)11-22(30-24)33-8-7-26-14(2)12-33/h5-6,9-11,14-15,26-27H,3-4,7-8,12H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyGKLHBKRUUZXEJO-UHFFFAOYSA-N
XLogP4.85
TPSA106.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.99
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol
CID 123980031
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 90147403
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 90147364
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 90431565
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 90431605
6-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 90147326
[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperazin-2-yl]methanol
CID 90147371
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 118446565
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 90431659
6-cyclobutyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 90147268
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 118446542
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine
CID 90147248

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine (CID 90431650) is 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine is Cc1cc2c(Cl)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNC(C)C4)n3)ccc2[nH]1.
What is the InChIKey of 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is GKLHBKRUUZXEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN8O/c1-13-9-16-17(27-13)5-6-19(23(16)25)34-24-29-20(28-21-10-18(31-32-21)15-3-4-15)11-22(30-24)33-8-7-26-14(2)12-33/h5-6,9-11,14-15,26-27H,3-4,7-8,12H2,1-2H3,(H2,28,29,30,31,32).
What are the key properties of 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine?
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 478.99 g/mol, XLogP of 4.85, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 90431650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).