(3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid

C19H24N4O3 — CID 152750906

IUPAC(3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
SMILESCC1C[C@H]2CN(C(=O)O)[C@H](CNC(=O)c3nn(C)c4ccccc34)[C@H]2C1
InChIInChI=1S/C19H24N4O3/c1-11-7-12-10-23(19(25)26)16(14(12)8-11)9-20-18(24)17-13-5-3-4-6-15(13)22(2)21-17/h3-6,11-12,14,16H,7-10H2,1-2H3,(H,20,24)(H,25,26)/t11?,12-,14-,16+/m0/s1
InChIKeyUMKXWYDKRICOFN-LUYNUTGESA-N
MW356.43 g/mol
LogP2.33
Rot. Bonds3

About (3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid

(3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid (PubChem CID 152750906) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
PubChem CID152750906
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
SMILESCC1C[C@H]2CN(C(=O)O)[C@H](CNC(=O)c3nn(C)c4ccccc34)[C@H]2C1
InChIInChI=1S/C19H24N4O3/c1-11-7-12-10-23(19(25)26)16(14(12)8-11)9-20-18(24)17-13-5-3-4-6-15(13)22(2)21-17/h3-6,11-12,14,16H,7-10H2,1-2H3,(H,20,24)(H,25,26)/t11?,12-,14-,16+/m0/s1
InChIKeyUMKXWYDKRICOFN-LUYNUTGESA-N
XLogP2.33
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid with MolForge

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
(3S,3aS,6aR)-3-[(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)methyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 152750915
3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide
CID 103122653
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide
CID 126916675
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
N-[[(3S,3aS,6aR)-2-[2-(2,3-dimethylphenyl)-1,3-thiazole-4-carbonyl]-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-yl]methyl]-1-methylindazole-3-carboxamide
CID 161267768
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
CID 103120569

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The IUPAC name of (3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid (CID 152750906) is (3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid.
What is the SMILES notation for (3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The canonical SMILES for (3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid is CC1C[C@H]2CN(C(=O)O)[C@H](CNC(=O)c3nn(C)c4ccccc34)[C@H]2C1.
What is the InChIKey of (3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The InChIKey is UMKXWYDKRICOFN-LUYNUTGESA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-7-12-10-23(19(25)26)16(14(12)8-11)9-20-18(24)17-13-5-3-4-6-15(13)22(2)21-17/h3-6,11-12,14,16H,7-10H2,1-2H3,(H,20,24)(H,25,26)/t11?,12-,14-,16+/m0/s1.
What are the key properties of (3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
(3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aR)-5-methyl-3-[[(1-methylindazole-3-carbonyl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 152750906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).