N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide

C22H22N6O3 — CID 71768845

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2c(n1)CCCN2
InChIInChI=1S/C22H22N6O3/c23-20(30)19(29)17(12-14-6-2-1-3-7-14)26-22(31)15-8-4-11-25-21(15)28-13-18-16(27-28)9-5-10-24-18/h1-4,6-8,11,13,17,24H,5,9-10,12H2,(H2,23,30)(H,26,31)
InChIKeyMFWXXIYPGHHSKP-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.02
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide (PubChem CID 71768845) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide
PubChem CID71768845
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2c(n1)CCCN2
InChIInChI=1S/C22H22N6O3/c23-20(30)19(29)17(12-14-6-2-1-3-7-14)26-22(31)15-8-4-11-25-21(15)28-13-18-16(27-28)9-5-10-24-18/h1-4,6-8,11,13,17,24H,5,9-10,12H2,(H2,23,30)(H,26,31)
InChIKeyMFWXXIYPGHHSKP-UHFFFAOYSA-N
XLogP1.02
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 70032001
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CID 71768704
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)-4-(methanesulfonamidomethyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720020
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66719988
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-piperazin-1-ylpyrazole-4-carboxamide;hydrochloride
CID 155757629
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 71768738
N-[4-(methylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238226
N-[4-(cyclobutyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53257332
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66720005
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 46870400
2-[3-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(methoxyamino)-3,4-dioxo-1-phenylbutan-2-yl]pyridine-3-carboxamide
CID 53258820
N-[4-(cyclopropylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238746

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide (CID 71768845) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2c(n1)CCCN2.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide?
The InChIKey is MFWXXIYPGHHSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c23-20(30)19(29)17(12-14-6-2-1-3-7-14)26-22(31)15-8-4-11-25-21(15)28-13-18-16(27-28)9-5-10-24-18/h1-4,6-8,11,13,17,24H,5,9-10,12H2,(H2,23,30)(H,26,31).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71768845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).