5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

C37H39FN8 — CID 145245944

IUPAC5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
SMILESC=C(CC(C)C)Nc1cncc(-c2cc3c(-c4cc5c(-c6cc(F)cc(CCCN7CCCC7)c6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C37H39FN8/c1-23(2)11-24(3)42-29-15-27(18-39-19-29)33-17-31-36(22-41-33)44-45-37(31)34-16-30-32(20-40-21-35(30)43-34)26-12-25(13-28(38)14-26)7-6-10-46-8-4-5-9-46/h12-23,42-43H,3-11H2,1-2H3,(H,44,45)
InChIKeyNXOKDOBWHVXSMO-UHFFFAOYSA-N
MW614.77 g/mol
LogP8.37
Rot. Bonds11

About 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (PubChem CID 145245944) has the molecular formula C37H39FN8 and a molecular weight of 614.77 g/mol. Its IUPAC name is 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
PubChem CID145245944
Molecular FormulaC37H39FN8
Molecular Weight614.77 g/mol
Exact Mass614.33
IUPAC Name5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
SMILESC=C(CC(C)C)Nc1cncc(-c2cc3c(-c4cc5c(-c6cc(F)cc(CCCN7CCCC7)c6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C37H39FN8/c1-23(2)11-24(3)42-29-15-27(18-39-19-29)33-17-31-36(22-41-33)44-45-37(31)34-16-30-32(20-40-21-35(30)43-34)26-12-25(13-28(38)14-26)7-6-10-46-8-4-5-9-46/h12-23,42-43H,3-11H2,1-2H3,(H,44,45)
InChIKeyNXOKDOBWHVXSMO-UHFFFAOYSA-N
XLogP8.37
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.77
LogP ≤ 58.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-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

3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
Ipivivint
CID 136213660
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
6-(5-methyl-1H-1,2,3-triazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
CID 135559065
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
N-(2-(2,5-difluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670693
N-[2-(2-fluoro-5-methylphenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 67470496

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?
The IUPAC name of 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (CID 145245944) is 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?
The canonical SMILES for 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is C=C(CC(C)C)Nc1cncc(-c2cc3c(-c4cc5c(-c6cc(F)cc(CCCN7CCCC7)c6)cncc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?
The InChIKey is NXOKDOBWHVXSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39FN8/c1-23(2)11-24(3)42-29-15-27(18-39-19-29)33-17-31-36(22-41-33)44-45-37(31)34-16-30-32(20-40-21-35(30)43-34)26-12-25(13-28(38)14-26)7-6-10-46-8-4-5-9-46/h12-23,42-43H,3-11H2,1-2H3,(H,44,45).
What are the key properties of 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?
5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine has a molecular weight of 614.77 g/mol, XLogP of 8.37, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 145245944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).