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

C32H40N6O3 — CID 77464600

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)C3CCNCC3)CC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C32H40N6O3/c1-20-15-21(2)36-31(40)27(20)18-34-30(39)26-16-24(17-29-28(26)19-35-38(29)25-5-3-4-6-25)22-9-13-37(14-10-22)32(41)23-7-11-33-12-8-23/h9,15-17,19,23,25,27,33H,3-8,10-14,18H2,1-2H3,(H,34,39)
InChIKeyURUFHMOKSFWLBP-UHFFFAOYSA-N
MW556.71 g/mol
LogP4.06
Rot. Bonds6

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

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide (PubChem CID 77464600) has the molecular formula C32H40N6O3 and a molecular weight of 556.71 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide
PubChem CID77464600
Molecular FormulaC32H40N6O3
Molecular Weight556.71 g/mol
Exact Mass556.32
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)C3CCNCC3)CC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C32H40N6O3/c1-20-15-21(2)36-31(40)27(20)18-34-30(39)26-16-24(17-29-28(26)19-35-38(29)25-5-3-4-6-25)22-9-13-37(14-10-22)32(41)23-7-11-33-12-8-23/h9,15-17,19,23,25,27,33H,3-8,10-14,18H2,1-2H3,(H,34,39)
InChIKeyURUFHMOKSFWLBP-UHFFFAOYSA-N
XLogP4.06
TPSA108.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.71
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide (CID 77464600) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)C3CCNCC3)CC2)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide?
The InChIKey is URUFHMOKSFWLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O3/c1-20-15-21(2)36-31(40)27(20)18-34-30(39)26-16-24(17-29-28(26)19-35-38(29)25-5-3-4-6-25)22-9-13-37(14-10-22)32(41)23-7-11-33-12-8-23/h9,15-17,19,23,25,27,33H,3-8,10-14,18H2,1-2H3,(H,34,39).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide has a molecular weight of 556.71 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(piperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide is sourced from PubChem (CID 77464600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).