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

C26H33N5O3 — CID 77465805

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CN2CCOCC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C26H33N5O3/c1-17-11-18(2)29-26(33)22(17)14-27-25(32)21-12-19(16-30-7-9-34-10-8-30)13-24-23(21)15-28-31(24)20-5-3-4-6-20/h11-13,15,20,22H,3-10,14,16H2,1-2H3,(H,27,32)
InChIKeyYMGBZQWLNNZYDP-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.28
Rot. Bonds6

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

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide (PubChem CID 77465805) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide
PubChem CID77465805
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CN2CCOCC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C26H33N5O3/c1-17-11-18(2)29-26(33)22(17)14-27-25(32)21-12-19(16-30-7-9-34-10-8-30)13-24-23(21)15-28-31(24)20-5-3-4-6-20/h11-13,15,20,22H,3-10,14,16H2,1-2H3,(H,27,32)
InChIKeyYMGBZQWLNNZYDP-UHFFFAOYSA-N
XLogP3.28
TPSA88.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.28
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-(morpholin-4-ylmethyl)indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide (CID 77465805) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CN2CCOCC2)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide?
The InChIKey is YMGBZQWLNNZYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-17-11-18(2)29-26(33)22(17)14-27-25(32)21-12-19(16-30-7-9-34-10-8-30)13-24-23(21)15-28-31(24)20-5-3-4-6-20/h11-13,15,20,22H,3-10,14,16H2,1-2H3,(H,27,32).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 3.28, 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-(morpholin-4-ylmethyl)indazole-4-carboxamide is sourced from PubChem (CID 77465805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).