1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide

C23H23FN6O3 — CID 118073449

IUPAC1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N(c2ccccc2)C2CC2)c2ncccc12
InChIInChI=1S/C23H23FN6O3/c24-14-11-18(23(33)30(16-8-9-16)15-5-2-1-3-6-15)28(12-14)19(31)13-29-22-17(7-4-10-26-22)20(27-29)21(25)32/h1-7,10,14,16,18H,8-9,11-13H2,(H2,25,32)/t14-,18+/m1/s1
InChIKeyGHJPJYNVHZONDV-KDOFPFPSSA-N
MW450.47 g/mol
LogP1.66
Rot. Bonds6

About 1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide

1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 118073449) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID118073449
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N(c2ccccc2)C2CC2)c2ncccc12
InChIInChI=1S/C23H23FN6O3/c24-14-11-18(23(33)30(16-8-9-16)15-5-2-1-3-6-15)28(12-14)19(31)13-29-22-17(7-4-10-26-22)20(27-29)21(25)32/h1-7,10,14,16,18H,8-9,11-13H2,(H2,25,32)/t14-,18+/m1/s1
InChIKeyGHJPJYNVHZONDV-KDOFPFPSSA-N
XLogP1.66
TPSA114.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 118073472
2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid
CID 71009624
1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72720873
1-[2-[(2S,4R)-2-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72720661
1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 72944378
1-[2-[(2S,4R)-4-fluoro-2-[fluoro-[3-(2-methyl-3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 135221605
1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 123183892
1-[2-[(2S,4R)-2-[(3-chlorophenyl)-(trifluoromethyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118323677
1-[2-[(3S,5R)-3-[2-(6-bromopyrazin-2-yl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 158459342
1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 118093303
1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 71009425
1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 158025615

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide (CID 118073449) is 1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide is NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N(c2ccccc2)C2CC2)c2ncccc12.
What is the InChIKey of 1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is GHJPJYNVHZONDV-KDOFPFPSSA-N. The full InChI is InChI=1S/C23H23FN6O3/c24-14-11-18(23(33)30(16-8-9-16)15-5-2-1-3-6-15)28(12-14)19(31)13-29-22-17(7-4-10-26-22)20(27-29)21(25)32/h1-7,10,14,16,18H,8-9,11-13H2,(H2,25,32)/t14-,18+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-2-[cyclopropyl(phenyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 118073449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).