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

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Related Compounds

2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide
CID 170417303
2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide
CID 170419321
tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 170357760
2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid
CID 170357752
benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
CID 170357733
N-[2-(methylamino)propyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 120828245
N-[1-(2-hydroxyethyl)cyclobutyl]-2-methyl-5-phenylmethoxyindazole-3-carboxamide
CID 170602534
1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87041161
1-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]-7-(1-methylpyrrol-2-yl)hepta-1,6-diene-3,5-dione
CID 123681506
1,7-bis[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 142718830
N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide
CID 170602684
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]indazole-3-carboxamide
CID 170602682

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).