N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H26N6O — CID 167827110

IUPACN-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1CCC(N(C)C(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2cccnc2)C1
InChIInChI=1S/C25H26N6O/c1-17-7-8-20(11-17)30(2)25(32)21-12-23(19-6-4-10-27-14-19)29-24-22(21)15-28-31(24)16-18-5-3-9-26-13-18/h3-6,9-10,12-15,17,20H,7-8,11,16H2,1-2H3
InChIKeyCHQKRBGACIDQTP-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.20
Rot. Bonds5

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

N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 167827110) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID167827110
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1CCC(N(C)C(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2cccnc2)C1
InChIInChI=1S/C25H26N6O/c1-17-7-8-20(11-17)30(2)25(32)21-12-23(19-6-4-10-27-14-19)29-24-22(21)15-28-31(24)16-18-5-3-9-26-13-18/h3-6,9-10,12-15,17,20H,7-8,11,16H2,1-2H3
InChIKeyCHQKRBGACIDQTP-UHFFFAOYSA-N
XLogP4.20
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 167827110) is N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC1CCC(N(C)C(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2cccnc2)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CHQKRBGACIDQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-17-7-8-20(11-17)30(2)25(32)21-12-23(19-6-4-10-27-14-19)29-24-22(21)15-28-31(24)16-18-5-3-9-26-13-18/h3-6,9-10,12-15,17,20H,7-8,11,16H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 167827110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).