N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C23H24N6O2 — CID 146075855

IUPACN-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCC(C)CONC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1
InChIInChI=1S/C23H24N6O2/c1-3-16(2)15-31-28-23(30)19-10-21(18-7-5-9-25-12-18)27-22-20(19)13-26-29(22)14-17-6-4-8-24-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,28,30)
InChIKeyDLYCXUZIUOCLOE-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.64
Rot. Bonds8

About N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 146075855) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID146075855
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCC(C)CONC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1
InChIInChI=1S/C23H24N6O2/c1-3-16(2)15-31-28-23(30)19-10-21(18-7-5-9-25-12-18)27-22-20(19)13-26-29(22)14-17-6-4-8-24-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,28,30)
InChIKeyDLYCXUZIUOCLOE-UHFFFAOYSA-N
XLogP3.64
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78835342
N-(cyanomethoxy)-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146096805
N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25343257
[6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone
CID 167806643
N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 167827110
1-propyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 60985297
2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696750
6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16793223
N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 41042469
1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55610578
[6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 146125217
N,N-diethyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25336169

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 146075855) is N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCC(C)CONC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1.
What is the InChIKey of N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DLYCXUZIUOCLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-3-16(2)15-31-28-23(30)19-10-21(18-7-5-9-25-12-18)27-22-20(19)13-26-29(22)14-17-6-4-8-24-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,28,30).
What are the key properties of N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 146075855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).