2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide

C23H29F3N6O4 — CID 155862014

IUPAC2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide
SMILESCc1cncc(C(=O)N2Cc3cn(C)nc3C3(CCN(C(=O)N(C)C)CC3)C2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H28N6O2.C2HF3O2/c1-15-9-16(11-22-10-15)19(28)27-13-17-12-25(4)23-18(17)21(14-27)5-7-26(8-6-21)20(29)24(2)3;3-2(4,5)1(6)7/h9-12H,5-8,13-14H2,1-4H3;(H,6,7)
InChIKeyYCXJASCAIFFQKP-UHFFFAOYSA-N
MW510.52 g/mol
LogP2.43
Rot. Bonds1

About 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide

2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide (PubChem CID 155862014) has the molecular formula C23H29F3N6O4 and a molecular weight of 510.52 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide
PubChem CID155862014
Molecular FormulaC23H29F3N6O4
Molecular Weight510.52 g/mol
Exact Mass510.22
IUPAC Name2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide
SMILESCc1cncc(C(=O)N2Cc3cn(C)nc3C3(CCN(C(=O)N(C)C)CC3)C2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H28N6O2.C2HF3O2/c1-15-9-16(11-22-10-15)19(28)27-13-17-12-25(4)23-18(17)21(14-27)5-7-26(8-6-21)20(29)24(2)3;3-2(4,5)1(6)7/h9-12H,5-8,13-14H2,1-4H3;(H,6,7)
InChIKeyYCXJASCAIFFQKP-UHFFFAOYSA-N
XLogP2.43
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155825983
N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155866198
(2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155851271
[3-(4-methylphenyl)spiro[6,8-dihydroimidazo[2,1-c][1,4]oxazine-5,4'-piperidine]-1'-yl]-(5-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155840271
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 107406442
(5-amino-1,3-dihydroisoindol-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 66000096
bis(2,2,2-trifluoroacetic acid);N,N,2-trimethyl-3-propan-2-yl-5-(pyridin-3-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide
CID 155831346
N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide
CID 71920561
3-anilino-N,N-dimethyl-1-(5-methylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 155872887
(4-methylphenyl)-[1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 155865655
(4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 71396472
N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896233

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide?
The IUPAC name of 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide (CID 155862014) is 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide is Cc1cncc(C(=O)N2Cc3cn(C)nc3C3(CCN(C(=O)N(C)C)CC3)C2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide?
The InChIKey is YCXJASCAIFFQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2.C2HF3O2/c1-15-9-16(11-22-10-15)19(28)27-13-17-12-25(4)23-18(17)21(14-27)5-7-26(8-6-21)20(29)24(2)3;3-2(4,5)1(6)7/h9-12H,5-8,13-14H2,1-4H3;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide?
2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide has a molecular weight of 510.52 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 155862014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).