N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide

C22H23F3N6O — CID 59437503

IUPACN-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C22H23F3N6O/c23-22(24,25)16-11-18(26-17-7-8-17)31-19(12-16)27-21(29-31)28-20(32)15-5-3-14(4-6-15)13-30-9-1-2-10-30/h3-6,11-12,17,26H,1-2,7-10,13H2,(H,28,29,32)
InChIKeyGXEPLCOCYAPYMT-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.17
Rot. Bonds6

About N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide

N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 59437503) has the molecular formula C22H23F3N6O and a molecular weight of 444.46 g/mol. Its IUPAC name is N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID59437503
Molecular FormulaC22H23F3N6O
Molecular Weight444.46 g/mol
Exact Mass444.19
IUPAC NameN-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C22H23F3N6O/c23-22(24,25)16-11-18(26-17-7-8-17)31-19(12-16)27-21(29-31)28-20(32)15-5-3-14(4-6-15)13-30-9-1-2-10-30/h3-6,11-12,17,26H,1-2,7-10,13H2,(H,28,29,32)
InChIKeyGXEPLCOCYAPYMT-UHFFFAOYSA-N
XLogP4.17
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 59437491
N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
CID 59437532
N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
CID 25214470
4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 43922202
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-[5-(3-hydroxypropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
CID 59437528
4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 41453944
N-[5-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374651
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 24724815
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 59437503) is N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide is O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is GXEPLCOCYAPYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O/c23-22(24,25)16-11-18(26-17-7-8-17)31-19(12-16)27-21(29-31)28-20(32)15-5-3-14(4-6-15)13-30-9-1-2-10-30/h3-6,11-12,17,26H,1-2,7-10,13H2,(H,28,29,32).
What are the key properties of N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 444.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 59437503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).