2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline

C26H24ClN7O — CID 108776977

IUPAC2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline
SMILESCOc1cccc2c(C)cc(N3CCN(c4ncnc5c4cnn5-c4cccc(Cl)c4)CC3)nc12
InChIInChI=1S/C26H24ClN7O/c1-17-13-23(31-24-20(17)7-4-8-22(24)35-2)32-9-11-33(12-10-32)25-21-15-30-34(26(21)29-16-28-25)19-6-3-5-18(27)14-19/h3-8,13-16H,9-12H2,1-2H3
InChIKeyQFLJRBLZGLKCBC-UHFFFAOYSA-N
MW485.98 g/mol
LogP4.66
Rot. Bonds4

About 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline

2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline (PubChem CID 108776977) has the molecular formula C26H24ClN7O and a molecular weight of 485.98 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline
PubChem CID108776977
Molecular FormulaC26H24ClN7O
Molecular Weight485.98 g/mol
Exact Mass485.17
IUPAC Name2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline
SMILESCOc1cccc2c(C)cc(N3CCN(c4ncnc5c4cnn5-c4cccc(Cl)c4)CC3)nc12
InChIInChI=1S/C26H24ClN7O/c1-17-13-23(31-24-20(17)7-4-8-22(24)35-2)32-9-11-33(12-10-32)25-21-15-30-34(26(21)29-16-28-25)19-6-3-5-18(27)14-19/h3-8,13-16H,9-12H2,1-2H3
InChIKeyQFLJRBLZGLKCBC-UHFFFAOYSA-N
XLogP4.66
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.98
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-chlorophenyl)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 108779030
1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 108784414
2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline
CID 108776833
4-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 72547760
1-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 108771366
8-methoxy-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 23931520
2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
CID 1365048
(2S,6S)-4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 7205606
1-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 17017541
4-[4-(benzenesulfonyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidine
CID 108784407
1-(3-chlorophenyl)-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 108784404
1-(3-chlorophenyl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 41106071

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline (CID 108776977) is 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline is COc1cccc2c(C)cc(N3CCN(c4ncnc5c4cnn5-c4cccc(Cl)c4)CC3)nc12.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline?
The InChIKey is QFLJRBLZGLKCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O/c1-17-13-23(31-24-20(17)7-4-8-22(24)35-2)32-9-11-33(12-10-32)25-21-15-30-34(26(21)29-16-28-25)19-6-3-5-18(27)14-19/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline?
2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline has a molecular weight of 485.98 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline is sourced from PubChem (CID 108776977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).