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

C30H41N5O2 — CID 148760724

IUPAC6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
SMILESCCCCN1CCC(c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3cnn(C4CCCC4)c3c2)CC1
InChIInChI=1S/C30H41N5O2/c1-4-5-12-34-13-10-22(11-14-34)23-16-25(27-19-32-35(28(27)17-23)24-8-6-7-9-24)29(36)31-18-26-20(2)15-21(3)33-30(26)37/h15-17,19,22,24H,4-14,18H2,1-3H3,(H,31,36)(H,33,37)
InChIKeyOGMUMQBNYUKYBZ-UHFFFAOYSA-N
MW503.69 g/mol
LogP5.37
Rot. Bonds8

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

6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide (PubChem CID 148760724) has the molecular formula C30H41N5O2 and a molecular weight of 503.69 g/mol. Its IUPAC name is 6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
PubChem CID148760724
Molecular FormulaC30H41N5O2
Molecular Weight503.69 g/mol
Exact Mass503.33
IUPAC Name6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
SMILESCCCCN1CCC(c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3cnn(C4CCCC4)c3c2)CC1
InChIInChI=1S/C30H41N5O2/c1-4-5-12-34-13-10-22(11-14-34)23-16-25(27-19-32-35(28(27)17-23)24-8-6-7-9-24)29(36)31-18-26-20(2)15-21(3)33-30(26)37/h15-17,19,22,24H,4-14,18H2,1-3H3,(H,31,36)(H,33,37)
InChIKeyOGMUMQBNYUKYBZ-UHFFFAOYSA-N
XLogP5.37
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 54597298
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide
CID 54597151
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-6-carboxamide
CID 127029640
3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 139542709
3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide
CID 130460078
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
3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 123865756
5-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 155965417
5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 140752943
6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56597425
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-1-methylindazole-6-carboxamide
CID 137484838
1-cycloheptyl-8-(4-hexylpiperazine-1-carbonyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 137152331

Frequently Asked Questions

What is the IUPAC name of 6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The IUPAC name of 6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide (CID 148760724) is 6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide.
What is the SMILES notation for 6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The canonical SMILES for 6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide is CCCCN1CCC(c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3cnn(C4CCCC4)c3c2)CC1.
What is the InChIKey of 6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The InChIKey is OGMUMQBNYUKYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O2/c1-4-5-12-34-13-10-22(11-14-34)23-16-25(27-19-32-35(28(27)17-23)24-8-6-7-9-24)29(36)31-18-26-20(2)15-21(3)33-30(26)37/h15-17,19,22,24H,4-14,18H2,1-3H3,(H,31,36)(H,33,37).
What are the key properties of 6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide has a molecular weight of 503.69 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 148760724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).