1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide

C23H23FN6O3 — CID 72944379

IUPAC1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-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[C@@H]2C[C@H]2c2ccccc2)c2ncccc12
InChIInChI=1S/C23H23FN6O3/c24-14-9-18(23(33)27-17-10-16(17)13-5-2-1-3-6-13)29(11-14)19(31)12-30-22-15(7-4-8-26-22)20(28-30)21(25)32/h1-8,14,16-18H,9-12H2,(H2,25,32)(H,27,33)/t14-,16+,17-,18+/m1/s1
InChIKeyOLGCKPIRUWFBSE-SPUZQDLCSA-N
MW450.47 g/mol
LogP1.14
Rot. Bonds6

About 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide

1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 72944379) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID72944379
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-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[C@@H]2C[C@H]2c2ccccc2)c2ncccc12
InChIInChI=1S/C23H23FN6O3/c24-14-9-18(23(33)27-17-10-16(17)13-5-2-1-3-6-13)29(11-14)19(31)12-30-22-15(7-4-8-26-22)20(28-30)21(25)32/h1-8,14,16-18H,9-12H2,(H2,25,32)(H,27,33)/t14-,16+,17-,18+/m1/s1
InChIKeyOLGCKPIRUWFBSE-SPUZQDLCSA-N
XLogP1.14
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide (CID 72944379) is 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-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[C@@H]2C[C@H]2c2ccccc2)c2ncccc12.
What is the InChIKey of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is OLGCKPIRUWFBSE-SPUZQDLCSA-N. The full InChI is InChI=1S/C23H23FN6O3/c24-14-9-18(23(33)27-17-10-16(17)13-5-2-1-3-6-13)29(11-14)19(31)12-30-22-15(7-4-8-26-22)20(28-30)21(25)32/h1-8,14,16-18H,9-12H2,(H2,25,32)(H,27,33)/t14-,16+,17-,18+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 72944379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).