N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid

C22H30F3N7O3 — CID 155824169

IUPACN-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1cc(CN2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H29N7O.C2HF3O2/c1-2-26-13-15(11-21-26)12-25-9-7-20(8-10-25)6-5-17-23-24-18(27(17)14-20)19(28)22-16-3-4-16;3-2(4,5)1(6)7/h11,13,16H,2-10,12,14H2,1H3,(H,22,28);(H,6,7)
InChIKeyFGVUSYSPLDBZBC-UHFFFAOYSA-N
MW497.52 g/mol
LogP2.25
Rot. Bonds5

About N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid

N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155824169) has the molecular formula C22H30F3N7O3 and a molecular weight of 497.52 g/mol. Its IUPAC name is N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155824169
Molecular FormulaC22H30F3N7O3
Molecular Weight497.52 g/mol
Exact Mass497.24
IUPAC NameN-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1cc(CN2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H29N7O.C2HF3O2/c1-2-26-13-15(11-21-26)12-25-9-7-20(8-10-25)6-5-17-23-24-18(27(17)14-20)19(28)22-16-3-4-16;3-2(4,5)1(6)7/h11,13,16H,2-10,12,14H2,1H3,(H,22,28);(H,6,7)
InChIKeyFGVUSYSPLDBZBC-UHFFFAOYSA-N
XLogP2.25
TPSA118.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155824169) is N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid is CCn1cc(CN2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FGVUSYSPLDBZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O.C2HF3O2/c1-2-26-13-15(11-21-26)12-25-9-7-20(8-10-25)6-5-17-23-24-18(27(17)14-20)19(28)22-16-3-4-16;3-2(4,5)1(6)7/h11,13,16H,2-10,12,14H2,1H3,(H,22,28);(H,6,7).
What are the key properties of N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 497.52 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1'-[(1-ethylpyrazol-4-yl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155824169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).