1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide

C24H24F2N6O3 — CID 90020165

IUPAC1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)N[C@@H]3C[C@H]3c3ccccc3F)c2cn1
InChIInChI=1S/C24H24F2N6O3/c1-12-6-16-20(9-28-12)32(30-22(16)23(27)34)11-21(33)31-10-13(25)7-19(31)24(35)29-18-8-15(18)14-4-2-3-5-17(14)26/h2-6,9,13,15,18-19H,7-8,10-11H2,1H3,(H2,27,34)(H,29,35)/t13-,15+,18-,19+/m1/s1
InChIKeyOSMVBGFWMJKWDJ-MWLKLMTCSA-N
MW482.49 g/mol
LogP1.59
Rot. Bonds6

About 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 90020165) has the molecular formula C24H24F2N6O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID90020165
Molecular FormulaC24H24F2N6O3
Molecular Weight482.49 g/mol
Exact Mass482.19
IUPAC Name1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)N[C@@H]3C[C@H]3c3ccccc3F)c2cn1
InChIInChI=1S/C24H24F2N6O3/c1-12-6-16-20(9-28-12)32(30-22(16)23(27)34)11-21(33)31-10-13(25)7-19(31)24(35)29-18-8-15(18)14-4-2-3-5-17(14)26/h2-6,9,13,15,18-19H,7-8,10-11H2,1H3,(H2,27,34)(H,29,35)/t13-,15+,18-,19+/m1/s1
InChIKeyOSMVBGFWMJKWDJ-MWLKLMTCSA-N
XLogP1.59
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide (CID 90020165) is 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cc2c(C(N)=O)nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)N[C@@H]3C[C@H]3c3ccccc3F)c2cn1.
What is the InChIKey of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is OSMVBGFWMJKWDJ-MWLKLMTCSA-N. The full InChI is InChI=1S/C24H24F2N6O3/c1-12-6-16-20(9-28-12)32(30-22(16)23(27)34)11-21(33)31-10-13(25)7-19(31)24(35)29-18-8-15(18)14-4-2-3-5-17(14)26/h2-6,9,13,15,18-19H,7-8,10-11H2,1H3,(H2,27,34)(H,29,35)/t13-,15+,18-,19+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 482.49 g/mol, XLogP of 1.59, 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-(2-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 90020165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).