N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

C22H26N4O — CID 51856911

IUPACN-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N[C@H](C)CC)c2c(C3CC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C22H26N4O/c1-4-14(3)23-22(27)18-13-16(5-2)24-21-19(18)20(15-11-12-15)25-26(21)17-9-7-6-8-10-17/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,23,27)/t14-/m1/s1
InChIKeyMNIUNEZYROOWAJ-CQSZACIVSA-N
MW362.48 g/mol
LogP4.39
Rot. Bonds6

About N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51856911) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID51856911
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N[C@H](C)CC)c2c(C3CC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C22H26N4O/c1-4-14(3)23-22(27)18-13-16(5-2)24-21-19(18)20(15-11-12-15)25-26(21)17-9-7-6-8-10-17/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,23,27)/t14-/m1/s1
InChIKeyMNIUNEZYROOWAJ-CQSZACIVSA-N
XLogP4.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51856917
3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25248176
3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25252383
1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea
CID 19588443
methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 19588745
(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 19588470
6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854055
6-cyclopropyl-N-[(1R)-1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854041
N-[(2R)-butan-2-yl]-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626608
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863832
3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19497660
N,6-dicyclopropyl-1-phenyl-3-pyrrolidin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134790258

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 51856911) is N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is CCc1cc(C(=O)N[C@H](C)CC)c2c(C3CC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is MNIUNEZYROOWAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-14(3)23-22(27)18-13-16(5-2)24-21-19(18)20(15-11-12-15)25-26(21)17-9-7-6-8-10-17/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,23,27)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51856911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).