N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide

C30H33N5O — CID 138671048

IUPACN-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
SMILESO=C(NC1CCC(CCN2CCc3cn(-c4ccccc4)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C30H33N5O/c36-30(27-8-4-10-28-26(27)9-5-17-31-28)32-24-13-11-22(12-14-24)15-18-34-19-16-23-20-35(33-29(23)21-34)25-6-2-1-3-7-25/h1-10,17,20,22,24H,11-16,18-19,21H2,(H,32,36)
InChIKeyJRISFTJBNAFSCD-UHFFFAOYSA-N
MW479.63 g/mol
LogP5.16
Rot. Bonds6

About N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide

N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide (PubChem CID 138671048) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
PubChem CID138671048
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC NameN-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
SMILESO=C(NC1CCC(CCN2CCc3cn(-c4ccccc4)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C30H33N5O/c36-30(27-8-4-10-28-26(27)9-5-17-31-28)32-24-13-11-22(12-14-24)15-18-34-19-16-23-20-35(33-29(23)21-34)25-6-2-1-3-7-25/h1-10,17,20,22,24H,11-16,18-19,21H2,(H,32,36)
InChIKeyJRISFTJBNAFSCD-UHFFFAOYSA-N
XLogP5.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?
The IUPAC name of N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide (CID 138671048) is N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?
The canonical SMILES for N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide is O=C(NC1CCC(CCN2CCc3cn(-c4ccccc4)nc3C2)CC1)c1cccc2ncccc12.
What is the InChIKey of N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?
The InChIKey is JRISFTJBNAFSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O/c36-30(27-8-4-10-28-26(27)9-5-17-31-28)32-24-13-11-22(12-14-24)15-18-34-19-16-23-20-35(33-29(23)21-34)25-6-2-1-3-7-25/h1-10,17,20,22,24H,11-16,18-19,21H2,(H,32,36).
What are the key properties of N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?
N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide is sourced from PubChem (CID 138671048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).