N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide

C19H20F2N4O3 — CID 170417310

IUPACN-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide
SMILESCn1nc2ccc(OCc3ccccn3)cc2c1C(=O)NCC(CO)C(F)F
InChIInChI=1S/C19H20F2N4O3/c1-25-17(19(27)23-9-12(10-26)18(20)21)15-8-14(5-6-16(15)24-25)28-11-13-4-2-3-7-22-13/h2-8,12,18,26H,9-11H2,1H3,(H,23,27)
InChIKeyXMNDFIIIXSEMFR-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.15
Rot. Bonds8

About N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide

N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide (PubChem CID 170417310) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide
PubChem CID170417310
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC NameN-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide
SMILESCn1nc2ccc(OCc3ccccn3)cc2c1C(=O)NCC(CO)C(F)F
InChIInChI=1S/C19H20F2N4O3/c1-25-17(19(27)23-9-12(10-26)18(20)21)15-8-14(5-6-16(15)24-25)28-11-13-4-2-3-7-22-13/h2-8,12,18,26H,9-11H2,1H3,(H,23,27)
InChIKeyXMNDFIIIXSEMFR-UHFFFAOYSA-N
XLogP2.15
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-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-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide?
The IUPAC name of N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide (CID 170417310) is N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide.
What is the SMILES notation for N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide?
The canonical SMILES for N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide is Cn1nc2ccc(OCc3ccccn3)cc2c1C(=O)NCC(CO)C(F)F.
What is the InChIKey of N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide?
The InChIKey is XMNDFIIIXSEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-25-17(19(27)23-9-12(10-26)18(20)21)15-8-14(5-6-16(15)24-25)28-11-13-4-2-3-7-22-13/h2-8,12,18,26H,9-11H2,1H3,(H,23,27).
What are the key properties of N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide?
N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-2-(hydroxymethyl)propyl]-2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide is sourced from PubChem (CID 170417310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).