(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide

C20H17FN4O2 — CID 97053576

IUPAC(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C20H17FN4O2/c1-13(26)25-17-8-4-2-6-14(17)10-19(25)20(27)23-15-11-22-24(12-15)18-9-5-3-7-16(18)21/h2-9,11-12,19H,10H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyCAOPJFHXORIWOQ-IBGZPJMESA-N
MW364.38 g/mol
LogP2.93
Rot. Bonds3

About (2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide

(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide (PubChem CID 97053576) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
PubChem CID97053576
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C20H17FN4O2/c1-13(26)25-17-8-4-2-6-14(17)10-19(25)20(27)23-15-11-22-24(12-15)18-9-5-3-7-16(18)21/h2-9,11-12,19H,10H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyCAOPJFHXORIWOQ-IBGZPJMESA-N
XLogP2.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954315
(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide
CID 92710254
(3R,4S)-N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933951
(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide
CID 75376328
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794110
(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide
CID 119329634
(2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 56800905
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]oxolane-2-carboxamide;hydrochloride
CID 120794109
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide (CID 97053576) is (2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cnn(-c2ccccc2F)c1.
What is the InChIKey of (2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is CAOPJFHXORIWOQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13(26)25-17-8-4-2-6-14(17)10-19(25)20(27)23-15-11-22-24(12-15)18-9-5-3-7-16(18)21/h2-9,11-12,19H,10H2,1H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 97053576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).