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

C26H29N5O2 — CID 155551023

IUPACN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccccn2)cc2c1cnn2C(C)C
InChIInChI=1S/C26H29N5O2/c1-5-8-18-11-17(4)30-26(33)21(18)14-28-25(32)20-12-19(23-9-6-7-10-27-23)13-24-22(20)15-29-31(24)16(2)3/h6-7,9-13,15-16H,5,8,14H2,1-4H3,(H,28,32)(H,30,33)
InChIKeyRAHSOQYFNLKCMP-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.56
Rot. Bonds7

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

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide (PubChem CID 155551023) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide
PubChem CID155551023
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccccn2)cc2c1cnn2C(C)C
InChIInChI=1S/C26H29N5O2/c1-5-8-18-11-17(4)30-26(33)21(18)14-28-25(32)20-12-19(23-9-6-7-10-27-23)13-24-22(20)15-29-31(24)16(2)3/h6-7,9-13,15-16H,5,8,14H2,1-4H3,(H,28,32)(H,30,33)
InChIKeyRAHSOQYFNLKCMP-UHFFFAOYSA-N
XLogP4.56
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide (CID 155551023) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccccn2)cc2c1cnn2C(C)C.
What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide?
The InChIKey is RAHSOQYFNLKCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-5-8-18-11-17(4)30-26(33)21(18)14-28-25(32)20-12-19(23-9-6-7-10-27-23)13-24-22(20)15-29-31(24)16(2)3/h6-7,9-13,15-16H,5,8,14H2,1-4H3,(H,28,32)(H,30,33).
What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide?
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-2-ylindazole-4-carboxamide is sourced from PubChem (CID 155551023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).