(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C20H24N4O3 — CID 51494514

IUPAC(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)[C@@H]2CC(=O)N(C)C2)cc1
InChIInChI=1S/C20H24N4O3/c1-23-12-13(10-19(23)25)20(26)22-17-4-3-5-18-16(17)11-21-24(18)14-6-8-15(27-2)9-7-14/h6-9,11,13,17H,3-5,10,12H2,1-2H3,(H,22,26)/t13-,17+/m1/s1
InChIKeyKRMQCYWPFFQHTO-DYVFJYSZSA-N
MW368.44 g/mol
LogP1.85
Rot. Bonds4

About (3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 51494514) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID51494514
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)[C@@H]2CC(=O)N(C)C2)cc1
InChIInChI=1S/C20H24N4O3/c1-23-12-13(10-19(23)25)20(26)22-17-4-3-5-18-16(17)11-21-24(18)14-6-8-15(27-2)9-7-14/h6-9,11,13,17H,3-5,10,12H2,1-2H3,(H,22,26)/t13-,17+/m1/s1
InChIKeyKRMQCYWPFFQHTO-DYVFJYSZSA-N
XLogP1.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110225755
N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 51494498
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 166631798
N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 51494543
N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 51494518
1-(4-methoxyphenyl)-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356554
N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopentanecarboxamide
CID 25384334
1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 55602158
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 51494508
1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 44819704
N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
CID 92598354
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 51494514) is (3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)[C@@H]2CC(=O)N(C)C2)cc1.
What is the InChIKey of (3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KRMQCYWPFFQHTO-DYVFJYSZSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23-12-13(10-19(23)25)20(26)22-17-4-3-5-18-16(17)11-21-24(18)14-6-8-15(27-2)9-7-14/h6-9,11,13,17H,3-5,10,12H2,1-2H3,(H,22,26)/t13-,17+/m1/s1.
What are the key properties of (3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51494514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).