1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

C20H24F2N6O4 — CID 72943818

IUPAC1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCO[C@H]1[C@@H](C(=O)NCC(F)=C(C)C)N(C(=O)Cn2nc(C(N)=O)c3ccncc32)C[C@@H]1F
InChIInChI=1S/C20H24F2N6O4/c1-10(2)12(21)6-25-20(31)17-18(32-3)13(22)8-27(17)15(29)9-28-14-7-24-5-4-11(14)16(26-28)19(23)30/h4-5,7,13,17-18H,6,8-9H2,1-3H3,(H2,23,30)(H,25,31)/t13-,17-,18+/m0/s1
InChIKeyMKJLXOZQZMUKJS-DOPJRALCSA-N
MW450.45 g/mol
LogP0.47
Rot. Bonds7

About 1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 72943818) has the molecular formula C20H24F2N6O4 and a molecular weight of 450.45 g/mol. Its IUPAC name is 1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID72943818
Molecular FormulaC20H24F2N6O4
Molecular Weight450.45 g/mol
Exact Mass450.18
IUPAC Name1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCO[C@H]1[C@@H](C(=O)NCC(F)=C(C)C)N(C(=O)Cn2nc(C(N)=O)c3ccncc32)C[C@@H]1F
InChIInChI=1S/C20H24F2N6O4/c1-10(2)12(21)6-25-20(31)17-18(32-3)13(22)8-27(17)15(29)9-28-14-7-24-5-4-11(14)16(26-28)19(23)30/h4-5,7,13,17-18H,6,8-9H2,1-3H3,(H2,23,30)(H,25,31)/t13-,17-,18+/m0/s1
InChIKeyMKJLXOZQZMUKJS-DOPJRALCSA-N
XLogP0.47
TPSA132.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]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,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 72943818) is 1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is CO[C@H]1[C@@H](C(=O)NCC(F)=C(C)C)N(C(=O)Cn2nc(C(N)=O)c3ccncc32)C[C@@H]1F.
What is the InChIKey of 1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is MKJLXOZQZMUKJS-DOPJRALCSA-N. The full InChI is InChI=1S/C20H24F2N6O4/c1-10(2)12(21)6-25-20(31)17-18(32-3)13(22)8-27(17)15(29)9-28-14-7-24-5-4-11(14)16(26-28)19(23)30/h4-5,7,13,17-18H,6,8-9H2,1-3H3,(H2,23,30)(H,25,31)/t13-,17-,18+/m0/s1.
What are the key properties of 1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 72943818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).