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

C23H26N6O2 — CID 54596429

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3cn[nH]c3)cc3c2c(C)nn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C23H26N6O2/c1-12(2)29-20-8-16(17-9-25-26-10-17)7-18(21(20)15(5)28-29)22(30)24-11-19-13(3)6-14(4)27-23(19)31/h6-10,12H,11H2,1-5H3,(H,24,30)(H,25,26)(H,27,31)
InChIKeyNGRCZIIXFAVIKW-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.55
Rot. Bonds5

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide (PubChem CID 54596429) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide
PubChem CID54596429
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3cn[nH]c3)cc3c2c(C)nn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C23H26N6O2/c1-12(2)29-20-8-16(17-9-25-26-10-17)7-18(21(20)15(5)28-29)22(30)24-11-19-13(3)6-14(4)27-23(19)31/h6-10,12H,11H2,1-5H3,(H,24,30)(H,25,26)(H,27,31)
InChIKeyNGRCZIIXFAVIKW-UHFFFAOYSA-N
XLogP3.55
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide (CID 54596429) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3cn[nH]c3)cc3c2c(C)nn3C(C)C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide?
The InChIKey is NGRCZIIXFAVIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-12(2)29-20-8-16(17-9-25-26-10-17)7-18(21(20)15(5)28-29)22(30)24-11-19-13(3)6-14(4)27-23(19)31/h6-10,12H,11H2,1-5H3,(H,24,30)(H,25,26)(H,27,31).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(1H-pyrazol-4-yl)indazole-4-carboxamide is sourced from PubChem (CID 54596429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).