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

C24H30N4O2 — CID 77464451

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C(C)C)cc2c1cnn2C1CCCC1
InChIInChI=1S/C24H30N4O2/c1-14(2)17-10-19(21-13-26-28(22(21)11-17)18-7-5-6-8-18)23(29)25-12-20-15(3)9-16(4)27-24(20)30/h9-11,13-14,18,20H,5-8,12H2,1-4H3,(H,25,29)
InChIKeyDGSWGPFDGBPQJX-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.57
Rot. Bonds5

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

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide (PubChem CID 77464451) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide
PubChem CID77464451
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C(C)C)cc2c1cnn2C1CCCC1
InChIInChI=1S/C24H30N4O2/c1-14(2)17-10-19(21-13-26-28(22(21)11-17)18-7-5-6-8-18)23(29)25-12-20-15(3)9-16(4)27-24(20)30/h9-11,13-14,18,20H,5-8,12H2,1-4H3,(H,25,29)
InChIKeyDGSWGPFDGBPQJX-UHFFFAOYSA-N
XLogP4.57
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-propan-2-ylindazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide (CID 77464451) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C(C)C)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide?
The InChIKey is DGSWGPFDGBPQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-14(2)17-10-19(21-13-26-28(22(21)11-17)18-7-5-6-8-18)23(29)25-12-20-15(3)9-16(4)27-24(20)30/h9-11,13-14,18,20H,5-8,12H2,1-4H3,(H,25,29).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 77464451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).