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

C30H38N6O3 — CID 77465655

IUPAC1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)CN(C)C)CC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C30H38N6O3/c1-19-13-20(2)33-30(39)25(19)16-31-29(38)24-14-22(21-9-11-35(12-10-21)28(37)18-34(3)4)15-27-26(24)17-32-36(27)23-7-5-6-8-23/h9,13-15,17,23,25H,5-8,10-12,16,18H2,1-4H3,(H,31,38)
InChIKeyYMGTYPJFIWQSIX-UHFFFAOYSA-N
MW530.67 g/mol
LogP3.62
Rot. Bonds7

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

1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide (PubChem CID 77465655) has the molecular formula C30H38N6O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is 1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
PubChem CID77465655
Molecular FormulaC30H38N6O3
Molecular Weight530.67 g/mol
Exact Mass530.30
IUPAC Name1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)CN(C)C)CC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C30H38N6O3/c1-19-13-20(2)33-30(39)25(19)16-31-29(38)24-14-22(21-9-11-35(12-10-21)28(37)18-34(3)4)15-27-26(24)17-32-36(27)23-7-5-6-8-23/h9,13-15,17,23,25H,5-8,10-12,16,18H2,1-4H3,(H,31,38)
InChIKeyYMGTYPJFIWQSIX-UHFFFAOYSA-N
XLogP3.62
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide (CID 77465655) is 1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)CN(C)C)CC2)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The InChIKey is YMGTYPJFIWQSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3/c1-19-13-20(2)33-30(39)25(19)16-31-29(38)24-14-22(21-9-11-35(12-10-21)28(37)18-34(3)4)15-27-26(24)17-32-36(27)23-7-5-6-8-23/h9,13-15,17,23,25H,5-8,10-12,16,18H2,1-4H3,(H,31,38).
What are the key properties of 1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide?
1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide has a molecular weight of 530.67 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 77465655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).