N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen

C17H22F3N5O2S — CID 177051934

IUPACN-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen
SMILESCN(CCS(=O)(=O)Nc1cccc2c1N(C)NC2)c1cc(C(F)(F)F)ccn1.[H][H]
InChIInChI=1S/C17H20F3N5O2S.H2/c1-24(15-10-13(6-7-21-15)17(18,19)20)8-9-28(26,27)23-14-5-3-4-12-11-22-25(2)16(12)14;/h3-7,10,22-23H,8-9,11H2,1-2H3;1H
InChIKeyAZCPZIDYTIEBPM-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.68
Rot. Bonds6

About N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen

N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen (PubChem CID 177051934) has the molecular formula C17H22F3N5O2S and a molecular weight of 417.46 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen
PubChem CID177051934
Molecular FormulaC17H22F3N5O2S
Molecular Weight417.46 g/mol
Exact Mass417.14
IUPAC NameN-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen
SMILESCN(CCS(=O)(=O)Nc1cccc2c1N(C)NC2)c1cc(C(F)(F)F)ccn1.[H][H]
InChIInChI=1S/C17H20F3N5O2S.H2/c1-24(15-10-13(6-7-21-15)17(18,19)20)8-9-28(26,27)23-14-5-3-4-12-11-22-25(2)16(12)14;/h3-7,10,22-23H,8-9,11H2,1-2H3;1H
InChIKeyAZCPZIDYTIEBPM-UHFFFAOYSA-N
XLogP2.68
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen with MolForge

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Related Compounds

1-methyl-N-[2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethylsulfanyl]indazol-7-amine
CID 177051884
N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 107205276
N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133398196
N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 77126126
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 66328057
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 66330423
N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 66328458
(3,3-difluorocyclobutyl)-[4-[[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 146077906
N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine
CID 80671024
3-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 66476430
1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide
CID 170968996
N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 133358533

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen?
The IUPAC name of N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen (CID 177051934) is N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen.
What is the SMILES notation for N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen?
The canonical SMILES for N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen is CN(CCS(=O)(=O)Nc1cccc2c1N(C)NC2)c1cc(C(F)(F)F)ccn1.[H][H].
What is the InChIKey of N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen?
The InChIKey is AZCPZIDYTIEBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2S.H2/c1-24(15-10-13(6-7-21-15)17(18,19)20)8-9-28(26,27)23-14-5-3-4-12-11-22-25(2)16(12)14;/h3-7,10,22-23H,8-9,11H2,1-2H3;1H.
What are the key properties of N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen?
N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen has a molecular weight of 417.46 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroindazol-7-yl)-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide;molecular hydrogen is sourced from PubChem (CID 177051934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).