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2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide

C23H33F3N6O3S — CID 155826617

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide
SMILESCc1nc2c(n1C(C)C)CN(Cc1nccs1)CC21CCN(C(=O)N(C)C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H32N6OS.C2HF3O2/c1-15(2)27-16(3)23-19-17(27)12-25(13-18-22-8-11-29-18)14-21(19)6-9-26(10-7-21)20(28)24(4)5;3-2(4,5)1(6)7/h8,11,15H,6-7,9-10,12-14H2,1-5H3;(H,6,7)
InChIKeySBFCVDPAWNXXBJ-UHFFFAOYSA-N
MW530.62 g/mol
LogP3.89
Rot. Bonds3

About 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide

2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide (PubChem CID 155826617) has the molecular formula C23H33F3N6O3S and a molecular weight of 530.62 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide
PubChem CID155826617
Molecular FormulaC23H33F3N6O3S
Molecular Weight530.62 g/mol
Exact Mass530.23
IUPAC Name2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide
SMILESCc1nc2c(n1C(C)C)CN(Cc1nccs1)CC21CCN(C(=O)N(C)C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H32N6OS.C2HF3O2/c1-15(2)27-16(3)23-19-17(27)12-25(13-18-22-8-11-29-18)14-21(19)6-9-26(10-7-21)20(28)24(4)5;3-2(4,5)1(6)7/h8,11,15H,6-7,9-10,12-14H2,1-5H3;(H,6,7)
InChIKeySBFCVDPAWNXXBJ-UHFFFAOYSA-N
XLogP3.89
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.62
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide?
The IUPAC name of 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide (CID 155826617) is 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide is Cc1nc2c(n1C(C)C)CN(Cc1nccs1)CC21CCN(C(=O)N(C)C)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide?
The InChIKey is SBFCVDPAWNXXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6OS.C2HF3O2/c1-15(2)27-16(3)23-19-17(27)12-25(13-18-22-8-11-29-18)14-21(19)6-9-26(10-7-21)20(28)24(4)5;3-2(4,5)1(6)7/h8,11,15H,6-7,9-10,12-14H2,1-5H3;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide?
2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide has a molecular weight of 530.62 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 155826617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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