2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)

C22H31F6N5O4 — CID 118746239

IUPAC2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)CN1CCC(c2nc3ccc(NC(C)C)cn3n2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H29N5.2C2HF3O2/c1-13(2)11-22-9-7-15(8-10-22)18-20-17-6-5-16(19-14(3)4)12-23(17)21-18;2*3-2(4,5)1(6)7/h5-6,12-15,19H,7-11H2,1-4H3;2*(H,6,7)
InChIKeyRRCSHPVYHLTYGB-UHFFFAOYSA-N
MW543.51 g/mol
LogP4.65
Rot. Bonds5

About 2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)

2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746239) has the molecular formula C22H31F6N5O4 and a molecular weight of 543.51 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746239
Molecular FormulaC22H31F6N5O4
Molecular Weight543.51 g/mol
Exact Mass543.23
IUPAC Name2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)CN1CCC(c2nc3ccc(NC(C)C)cn3n2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H29N5.2C2HF3O2/c1-13(2)11-22-9-7-15(8-10-22)18-20-17-6-5-16(19-14(3)4)12-23(17)21-18;2*3-2(4,5)1(6)7/h5-6,12-15,19H,7-11H2,1-4H3;2*(H,6,7)
InChIKeyRRCSHPVYHLTYGB-UHFFFAOYSA-N
XLogP4.65
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.51
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid
CID 118744262
N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid
CID 118744647
6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 118744645
6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155853436
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847216
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847875
2-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155829351
2-(1-ethylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155830086
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828673
[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155833117
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155829349
N,N-dimethyl-4-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171672567

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid) (CID 118746239) is 2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid) is CC(C)CN1CCC(c2nc3ccc(NC(C)C)cn3n2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is RRCSHPVYHLTYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5.2C2HF3O2/c1-13(2)11-22-9-7-15(8-10-22)18-20-17-6-5-16(19-14(3)4)12-23(17)21-18;2*3-2(4,5)1(6)7/h5-6,12-15,19H,7-11H2,1-4H3;2*(H,6,7).
What are the key properties of 2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)?
2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 543.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).