N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid)

C30H29F9N8O7 — CID 171693452

IUPACN-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid)
SMILESCc1ccc(NC(=O)c2ccc3nnc(C4CN(Cc5ccccn5)CCN4C)n3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H26N8O.3C2HF3O2/c1-17-6-8-19(13-26-17)27-24(33)18-7-9-22-28-29-23(32(22)14-18)21-16-31(12-11-30(21)2)15-20-5-3-4-10-25-20;3*3-2(4,5)1(6)7/h3-10,13-14,21H,11-12,15-16H2,1-2H3,(H,27,33);3*(H,6,7)
InChIKeyAALPKZIDXZIHNI-UHFFFAOYSA-N
MW784.59 g/mol
LogP4.47
Rot. Bonds5

About N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid)

N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid) (PubChem CID 171693452) has the molecular formula C30H29F9N8O7 and a molecular weight of 784.59 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid)
PubChem CID171693452
Molecular FormulaC30H29F9N8O7
Molecular Weight784.59 g/mol
Exact Mass784.20
IUPAC NameN-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid)
SMILESCc1ccc(NC(=O)c2ccc3nnc(C4CN(Cc5ccccn5)CCN4C)n3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H26N8O.3C2HF3O2/c1-17-6-8-19(13-26-17)27-24(33)18-7-9-22-28-29-23(32(22)14-18)21-16-31(12-11-30(21)2)15-20-5-3-4-10-25-20;3*3-2(4,5)1(6)7/h3-10,13-14,21H,11-12,15-16H2,1-2H3,(H,27,33);3*(H,6,7)
InChIKeyAALPKZIDXZIHNI-UHFFFAOYSA-N
XLogP4.47
TPSA203.45 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.59
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448664
N-(3-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134077237
N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131651617
N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068907
[3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 134068912
3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448657
3-(4-benzyl-1-methylpiperazin-2-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131646668
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068897
N-benzyl-3-[(2R)-4-benzyl-1-methylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448640
3-(1,4-dimethylpiperazin-2-yl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131638547
3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068878
3-[4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155838461

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid) (CID 171693452) is N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid) is Cc1ccc(NC(=O)c2ccc3nnc(C4CN(Cc5ccccn5)CCN4C)n3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is AALPKZIDXZIHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O.3C2HF3O2/c1-17-6-8-19(13-26-17)27-24(33)18-7-9-22-28-29-23(32(22)14-18)21-16-31(12-11-30(21)2)15-20-5-3-4-10-25-20;3*3-2(4,5)1(6)7/h3-10,13-14,21H,11-12,15-16H2,1-2H3,(H,27,33);3*(H,6,7).
What are the key properties of N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid)?
N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 784.59 g/mol, XLogP of 4.47, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridinyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171693452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).