3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide

C28H26N6O — CID 17026048

IUPAC3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1nc(C2CC2)c2c(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)cc(C3CC3)nc21
InChIInChI=1S/C28H26N6O/c1-33-27-25(26(32-33)19-11-12-19)23(13-24(31-27)18-9-10-18)28(35)30-21-14-29-34(16-21)15-20-7-4-6-17-5-2-3-8-22(17)20/h2-8,13-14,16,18-19H,9-12,15H2,1H3,(H,30,35)
InChIKeyLPHLJQABDQJIFH-UHFFFAOYSA-N
MW462.56 g/mol
LogP5.37
Rot. Bonds6

About 3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide

3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17026048) has the molecular formula C28H26N6O and a molecular weight of 462.56 g/mol. Its IUPAC name is 3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID17026048
Molecular FormulaC28H26N6O
Molecular Weight462.56 g/mol
Exact Mass462.22
IUPAC Name3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1nc(C2CC2)c2c(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)cc(C3CC3)nc21
InChIInChI=1S/C28H26N6O/c1-33-27-25(26(32-33)19-11-12-19)23(13-24(31-27)18-9-10-18)28(35)30-21-14-29-34(16-21)15-20-7-4-6-17-5-2-3-8-22(17)20/h2-8,13-14,16,18-19H,9-12,15H2,1H3,(H,30,35)
InChIKeyLPHLJQABDQJIFH-UHFFFAOYSA-N
XLogP5.37
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026552
3,6-dicyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19588428
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19588616
4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476955
1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19588520
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263639
6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824721
4-bromo-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480992
6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38398974
6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824825
1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea
CID 19588511

Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 17026048) is 3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cn1nc(C2CC2)c2c(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)cc(C3CC3)nc21.
What is the InChIKey of 3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LPHLJQABDQJIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O/c1-33-27-25(26(32-33)19-11-12-19)23(13-24(31-27)18-9-10-18)28(35)30-21-14-29-34(16-21)15-20-7-4-6-17-5-2-3-8-22(17)20/h2-8,13-14,16,18-19H,9-12,15H2,1H3,(H,30,35).
What are the key properties of 3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 462.56 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17026048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).