N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H29N5O — CID 95303336

IUPACN-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@@H](Nc3ccccc3)C(C)C)c12
InChIInChI=1S/C23H29N5O/c1-14(2)20(25-17-8-6-5-7-9-17)13-24-23(29)18-12-19(16-10-11-16)26-22-21(18)15(3)27-28(22)4/h5-9,12,14,16,20,25H,10-11,13H2,1-4H3,(H,24,29)/t20-/m1/s1
InChIKeyCQHHIIDJDPGAQM-HXUWFJFHSA-N
MW391.52 g/mol
LogP4.02
Rot. Bonds7

About N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 95303336) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID95303336
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@@H](Nc3ccccc3)C(C)C)c12
InChIInChI=1S/C23H29N5O/c1-14(2)20(25-17-8-6-5-7-9-17)13-24-23(29)18-12-19(16-10-11-16)26-22-21(18)15(3)27-28(22)4/h5-9,12,14,16,20,25H,10-11,13H2,1-4H3,(H,24,29)/t20-/m1/s1
InChIKeyCQHHIIDJDPGAQM-HXUWFJFHSA-N
XLogP4.02
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38600870
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383
6-cyclopropyl-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609834
6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55689006
6-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95753508
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
6-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31700057
6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55515573
6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38398974
4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542948
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 95303336) is N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@@H](Nc3ccccc3)C(C)C)c12.
What is the InChIKey of N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CQHHIIDJDPGAQM-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N5O/c1-14(2)20(25-17-8-6-5-7-9-17)13-24-23(29)18-12-19(16-10-11-16)26-22-21(18)15(3)27-28(22)4/h5-9,12,14,16,20,25H,10-11,13H2,1-4H3,(H,24,29)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 95303336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).