6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide

C30H39N5O3 — CID 147699141

IUPAC6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide
SMILESCCCC(=O)N1CC=C(c2cc(C(=O)NCC3=C(C)CC(C)NC3=O)c3cnn(C4CCCC4)c3c2)CC1
InChIInChI=1S/C30H39N5O3/c1-4-7-28(36)34-12-10-21(11-13-34)22-15-24(26-18-32-35(27(26)16-22)23-8-5-6-9-23)29(37)31-17-25-19(2)14-20(3)33-30(25)38/h10,15-16,18,20,23H,4-9,11-14,17H2,1-3H3,(H,31,37)(H,33,38)
InChIKeyGSMTYXREIMWEKQ-UHFFFAOYSA-N
MW517.67 g/mol
LogP4.52
Rot. Bonds7

About 6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide

6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide (PubChem CID 147699141) has the molecular formula C30H39N5O3 and a molecular weight of 517.67 g/mol. Its IUPAC name is 6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide
PubChem CID147699141
Molecular FormulaC30H39N5O3
Molecular Weight517.67 g/mol
Exact Mass517.31
IUPAC Name6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide
SMILESCCCC(=O)N1CC=C(c2cc(C(=O)NCC3=C(C)CC(C)NC3=O)c3cnn(C4CCCC4)c3c2)CC1
InChIInChI=1S/C30H39N5O3/c1-4-7-28(36)34-12-10-21(11-13-34)22-15-24(26-18-32-35(27(26)16-22)23-8-5-6-9-23)29(37)31-17-25-19(2)14-20(3)33-30(25)38/h10,15-16,18,20,23H,4-9,11-14,17H2,1-3H3,(H,31,37)(H,33,38)
InChIKeyGSMTYXREIMWEKQ-UHFFFAOYSA-N
XLogP4.52
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.67
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 54597298
1-cycloheptyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
CID 155547766
6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 148760724
1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-[(3-oxopiperazin-1-yl)methyl]phenyl]indazole-4-carboxamide
CID 138404061
6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465761
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide
CID 77465667
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86703436
1-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55888396
2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977628
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 125318592
2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide
CID 18129615
N-[(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
CID 161096713

Frequently Asked Questions

What is the IUPAC name of 6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide?
The IUPAC name of 6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide (CID 147699141) is 6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide.
What is the SMILES notation for 6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide?
The canonical SMILES for 6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide is CCCC(=O)N1CC=C(c2cc(C(=O)NCC3=C(C)CC(C)NC3=O)c3cnn(C4CCCC4)c3c2)CC1.
What is the InChIKey of 6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide?
The InChIKey is GSMTYXREIMWEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O3/c1-4-7-28(36)34-12-10-21(11-13-34)22-15-24(26-18-32-35(27(26)16-22)23-8-5-6-9-23)29(37)31-17-25-19(2)14-20(3)33-30(25)38/h10,15-16,18,20,23H,4-9,11-14,17H2,1-3H3,(H,31,37)(H,33,38).
What are the key properties of 6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide?
6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide has a molecular weight of 517.67 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-butanoyl-3,6-dihydro-2H-pyridin-4-yl)-1-cyclopentyl-N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 147699141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).