N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide

C29H32FN7O — CID 126739043

IUPACN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide
SMILESC[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c3cc(N4CCc5cnn(C)c5C4)cnc23)C1
InChIInChI=1S/C29H32FN7O/c1-17-9-19(11-20(31)10-17)22-5-7-32-15-26(22)35-29(38)23-3-4-25(30)24-12-21(14-33-28(23)24)37-8-6-18-13-34-36(2)27(18)16-37/h3-5,7,12-15,17,19-20H,6,8-11,16,31H2,1-2H3,(H,35,38)/t17-,19+,20-/m0/s1
InChIKeyJMSMRHWTASSPES-SXLOBPIMSA-N
MW513.62 g/mol
LogP4.55
Rot. Bonds4

About N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide (PubChem CID 126739043) has the molecular formula C29H32FN7O and a molecular weight of 513.62 g/mol. Its IUPAC name is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide
PubChem CID126739043
Molecular FormulaC29H32FN7O
Molecular Weight513.62 g/mol
Exact Mass513.27
IUPAC NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide
SMILESC[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c3cc(N4CCc5cnn(C)c5C4)cnc23)C1
InChIInChI=1S/C29H32FN7O/c1-17-9-19(11-20(31)10-17)22-5-7-32-15-26(22)35-29(38)23-3-4-25(30)24-12-21(14-33-28(23)24)37-8-6-18-13-34-36(2)27(18)16-37/h3-5,7,12-15,17,19-20H,6,8-11,16,31H2,1-2H3,(H,35,38)/t17-,19+,20-/m0/s1
InChIKeyJMSMRHWTASSPES-SXLOBPIMSA-N
XLogP4.55
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide?
The IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide (CID 126739043) is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide?
The canonical SMILES for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide is C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c3cc(N4CCc5cnn(C)c5C4)cnc23)C1.
What is the InChIKey of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide?
The InChIKey is JMSMRHWTASSPES-SXLOBPIMSA-N. The full InChI is InChI=1S/C29H32FN7O/c1-17-9-19(11-20(31)10-17)22-5-7-32-15-26(22)35-29(38)23-3-4-25(30)24-12-21(14-33-28(23)24)37-8-6-18-13-34-36(2)27(18)16-37/h3-5,7,12-15,17,19-20H,6,8-11,16,31H2,1-2H3,(H,35,38)/t17-,19+,20-/m0/s1.
What are the key properties of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide?
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide has a molecular weight of 513.62 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)quinoline-8-carboxamide is sourced from PubChem (CID 126739043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).