4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C24H25ClN6O2 — CID 70238621

IUPAC4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NC(C)c3ccccn3)cnc21
InChIInChI=1S/C24H25ClN6O2/c1-4-31-23-17(14-29-31)22(27-12-16-8-9-21(33-3)19(25)11-16)18(13-28-23)24(32)30-15(2)20-7-5-6-10-26-20/h5-11,13-15H,4,12H2,1-3H3,(H,27,28)(H,30,32)
InChIKeyGFPHXUDVZWLHAT-UHFFFAOYSA-N
MW464.96 g/mol
LogP4.61
Rot. Bonds8

About 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 70238621) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID70238621
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC Name4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NC(C)c3ccccn3)cnc21
InChIInChI=1S/C24H25ClN6O2/c1-4-31-23-17(14-29-31)22(27-12-16-8-9-21(33-3)19(25)11-16)18(13-28-23)24(32)30-15(2)20-7-5-6-10-26-20/h5-11,13-15H,4,12H2,1-3H3,(H,27,28)(H,30,32)
InChIKeyGFPHXUDVZWLHAT-UHFFFAOYSA-N
XLogP4.61
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide 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

4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-phenacylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18348804
4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(4-hydroxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70239271
4-[(3-chloro-4-methoxyphenyl)methylamino]-N-[[4-(dimethylamino)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18348812
methyl 4-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]butanoate
CID 139920790
4-[(3-chloro-4-methoxyphenyl)methylamino]-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 70239923
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41084044
1-[4-[13-[(3-chloro-4-methoxyphenyl)methylamino]-5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8,10,12-hexaen-10-yl]piperazin-1-yl]ethanone
CID 20703435
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
3-chloro-4-ethoxy-5-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 43007006
13-N-[(3-chloro-4-methoxyphenyl)methyl]-5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8,10,12-hexaene-10,13-diamine
CID 20703348
4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(1-hydroxypentan-2-yl)quinoline-3-carboxamide
CID 22601531
methyl 1-[13-[(3-chloro-4-methoxyphenyl)methylamino]-5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8,10,12-hexaen-10-yl]imidazole-4-carboxylate
CID 20703429

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 70238621) is 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NC(C)c3ccccn3)cnc21.
What is the InChIKey of 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is GFPHXUDVZWLHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-4-31-23-17(14-29-31)22(27-12-16-8-9-21(33-3)19(25)11-16)18(13-28-23)24(32)30-15(2)20-7-5-6-10-26-20/h5-11,13-15H,4,12H2,1-3H3,(H,27,28)(H,30,32).
What are the key properties of 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 464.96 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 70238621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).