(4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide

C17H15FN6O2 — CID 71220095

IUPAC(4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
SMILESCn1ncc2c1CN[C@@H]2C(=O)Nc1ccc(-n2ccncc2=O)cc1F
InChIInChI=1S/C17H15FN6O2/c1-23-14-8-20-16(11(14)7-21-23)17(26)22-13-3-2-10(6-12(13)18)24-5-4-19-9-15(24)25/h2-7,9,16,20H,8H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeyFXQRBHOKBYJPNI-INIZCTEOSA-N
MW354.35 g/mol
LogP0.89
Rot. Bonds3

About (4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide

(4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide (PubChem CID 71220095) has the molecular formula C17H15FN6O2 and a molecular weight of 354.35 g/mol. Its IUPAC name is (4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
PubChem CID71220095
Molecular FormulaC17H15FN6O2
Molecular Weight354.35 g/mol
Exact Mass354.12
IUPAC Name(4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
SMILESCn1ncc2c1CN[C@@H]2C(=O)Nc1ccc(-n2ccncc2=O)cc1F
InChIInChI=1S/C17H15FN6O2/c1-23-14-8-20-16(11(14)7-21-23)17(26)22-13-3-2-10(6-12(13)18)24-5-4-19-9-15(24)25/h2-7,9,16,20H,8H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeyFXQRBHOKBYJPNI-INIZCTEOSA-N
XLogP0.89
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide with MolForge

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Related Compounds

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N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
(5S)-5-{[{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}(pyridin-2-ylmethyl)amino]methyl}pyrrolidin-2-one
CID 16190975
N-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(2-oxo-1-pyrrolidinyl)acetamide
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N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-1-ethyl-4-methylpyrazole-5-carboxamide
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5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 121437853
(2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(5-methylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 165138402
(2S,4R)-4-fluoro-1-[2-(3-methylpyrazol-1-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138600
(2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxamide
CID 165138833
(2S,4R)-4-fluoro-1-[2-(1-methylpyrazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138920
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-(2-methylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139190

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
The IUPAC name of (4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide (CID 71220095) is (4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide.
What is the SMILES notation for (4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
The canonical SMILES for (4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide is Cn1ncc2c1CN[C@@H]2C(=O)Nc1ccc(-n2ccncc2=O)cc1F.
What is the InChIKey of (4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
The InChIKey is FXQRBHOKBYJPNI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15FN6O2/c1-23-14-8-20-16(11(14)7-21-23)17(26)22-13-3-2-10(6-12(13)18)24-5-4-19-9-15(24)25/h2-7,9,16,20H,8H2,1H3,(H,22,26)/t16-/m0/s1.
What are the key properties of (4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide?
(4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide has a molecular weight of 354.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide is sourced from PubChem (CID 71220095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).