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

C22H29FN6O3 — CID 118093303

IUPAC1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCC1(C)CCCC(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3ccncc32)C1
InChIInChI=1S/C22H29FN6O3/c1-22(2)6-3-4-14(9-22)26-21(32)16-8-13(23)11-28(16)18(30)12-29-17-10-25-7-5-15(17)19(27-29)20(24)31/h5,7,10,13-14,16H,3-4,6,8-9,11-12H2,1-2H3,(H2,24,31)(H,26,32)/t13-,14?,16+/m1/s1
InChIKeyWGTQGWXZUJBOOD-XIFZVWCKSA-N
MW444.51 g/mol
LogP1.55
Rot. Bonds5

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

1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118093303) has the molecular formula C22H29FN6O3 and a molecular weight of 444.51 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118093303
Molecular FormulaC22H29FN6O3
Molecular Weight444.51 g/mol
Exact Mass444.23
IUPAC Name1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCC1(C)CCCC(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3ccncc32)C1
InChIInChI=1S/C22H29FN6O3/c1-22(2)6-3-4-14(9-22)26-21(32)16-8-13(23)11-28(16)18(30)12-29-17-10-25-7-5-15(17)19(27-29)20(24)31/h5,7,10,13-14,16H,3-4,6,8-9,11-12H2,1-2H3,(H2,24,31)(H,26,32)/t13-,14?,16+/m1/s1
InChIKeyWGTQGWXZUJBOOD-XIFZVWCKSA-N
XLogP1.55
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

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-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72720873
1-[2-[(1R,2S,5S)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 118093299
1-[2-[(1R,3S,5R)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72721784
1-[2-[(1R,3S,5R)-3-[(3,3-dimethylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 118093284
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
6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 163463168
1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 90019408
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
1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334434
1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72943832
1-[2-[2-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334363

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 118093303) is 1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is CC1(C)CCCC(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3ccncc32)C1.
What is the InChIKey of 1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is WGTQGWXZUJBOOD-XIFZVWCKSA-N. The full InChI is InChI=1S/C22H29FN6O3/c1-22(2)6-3-4-14(9-22)26-21(32)16-8-13(23)11-28(16)18(30)12-29-17-10-25-7-5-15(17)19(27-29)20(24)31/h5,7,10,13-14,16H,3-4,6,8-9,11-12H2,1-2H3,(H2,24,31)(H,26,32)/t13-,14?,16+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118093303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).