N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

C20H21F2N5O2 — CID 164969718

IUPACN-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(CCN3CC(F)(F)C3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C20H21F2N5O2/c1-13-4-3-5-15(23-13)19(28)24-17-8-14-10-27(25-16(14)9-18(17)29-2)7-6-26-11-20(21,22)12-26/h3-5,8-10H,6-7,11-12H2,1-2H3,(H,24,28)
InChIKeyMRSIBHKQZFJDMV-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.95
Rot. Bonds6

About N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 164969718) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID164969718
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC NameN-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(CCN3CC(F)(F)C3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C20H21F2N5O2/c1-13-4-3-5-15(23-13)19(28)24-17-8-14-10-27(25-16(14)9-18(17)29-2)7-6-26-11-20(21,22)12-26/h3-5,8-10H,6-7,11-12H2,1-2H3,(H,24,28)
InChIKeyMRSIBHKQZFJDMV-UHFFFAOYSA-N
XLogP2.95
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]acetic acid
CID 118172746
N-[2-(2-hydroxyethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283862
N-[2-(2-iodoethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568000
tert-butyl 4-[2-[4-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 170051548
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 175253804
N-[6-methoxy-2-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051500
tert-butyl 4-[3-[4-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]piperidin-1-yl]propyl]piperidine-1-carboxylate
CID 170051499
N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051651
N-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283839
dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide
CID 164986879
6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide
CID 134422827

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (CID 164969718) is N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc2nn(CCN3CC(F)(F)C3)cc2cc1NC(=O)c1cccc(C)n1.
What is the InChIKey of N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is MRSIBHKQZFJDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2/c1-13-4-3-5-15(23-13)19(28)24-17-8-14-10-27(25-16(14)9-18(17)29-2)7-6-26-11-20(21,22)12-26/h3-5,8-10H,6-7,11-12H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 164969718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).