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

C33H42N6O3 — CID 77138636

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(1-methylpiperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)C3CCN(C)CC3)CC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C33H42N6O3/c1-21-16-22(2)36-32(41)28(21)19-34-31(40)27-17-25(18-30-29(27)20-35-39(30)26-6-4-5-7-26)23-10-14-38(15-11-23)33(42)24-8-12-37(3)13-9-24/h10,16-18,20,24,26,28H,4-9,11-15,19H2,1-3H3,(H,34,40)
InChIKeyGHYQGRNPTXDSLV-UHFFFAOYSA-N
MW570.74 g/mol
LogP4.40
Rot. Bonds6

About 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(1-methylpiperidine-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-(1-methylpiperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide (PubChem CID 77138636) has the molecular formula C33H42N6O3 and a molecular weight of 570.74 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(1-methylpiperidine-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-(1-methylpiperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide
PubChem CID77138636
Molecular FormulaC33H42N6O3
Molecular Weight570.74 g/mol
Exact Mass570.33
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(1-methylpiperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)C3CCN(C)CC3)CC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C33H42N6O3/c1-21-16-22(2)36-32(41)28(21)19-34-31(40)27-17-25(18-30-29(27)20-35-39(30)26-6-4-5-7-26)23-10-14-38(15-11-23)33(42)24-8-12-37(3)13-9-24/h10,16-18,20,24,26,28H,4-9,11-15,19H2,1-3H3,(H,34,40)
InChIKeyGHYQGRNPTXDSLV-UHFFFAOYSA-N
XLogP4.40
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.74
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(1-methylpiperidine-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-(1-methylpiperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide (CID 77138636) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(1-methylpiperidine-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-(1-methylpiperidine-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-(1-methylpiperidine-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)C3CCN(C)CC3)CC2)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(1-methylpiperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide?
The InChIKey is GHYQGRNPTXDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O3/c1-21-16-22(2)36-32(41)28(21)19-34-31(40)27-17-25(18-30-29(27)20-35-39(30)26-6-4-5-7-26)23-10-14-38(15-11-23)33(42)24-8-12-37(3)13-9-24/h10,16-18,20,24,26,28H,4-9,11-15,19H2,1-3H3,(H,34,40).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(1-methylpiperidine-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-(1-methylpiperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide has a molecular weight of 570.74 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 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-(1-methylpiperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-4-carboxamide is sourced from PubChem (CID 77138636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).