2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

C27H32F6N6O4S — CID 171695631

IUPAC2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(N2CCCC2)n2cc(C3CN(Cc4nccs4)CCN3CC3CC3)nc2c1
InChIInChI=1S/C23H30N6S.2C2HF3O2/c1-2-10-27(9-1)23-5-3-4-21-25-19(15-29(21)23)20-16-26(17-22-24-8-13-30-22)11-12-28(20)14-18-6-7-18;2*3-2(4,5)1(6)7/h3-5,8,13,15,18,20H,1-2,6-7,9-12,14,16-17H2;2*(H,6,7)
InChIKeyKOZYXRCTCOTZHM-UHFFFAOYSA-N
MW650.65 g/mol
LogP4.93
Rot. Bonds6

About 2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171695631) has the molecular formula C27H32F6N6O4S and a molecular weight of 650.65 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
PubChem CID171695631
Molecular FormulaC27H32F6N6O4S
Molecular Weight650.65 g/mol
Exact Mass650.21
IUPAC Name2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(N2CCCC2)n2cc(C3CN(Cc4nccs4)CCN3CC3CC3)nc2c1
InChIInChI=1S/C23H30N6S.2C2HF3O2/c1-2-10-27(9-1)23-5-3-4-21-25-19(15-29(21)23)20-16-26(17-22-24-8-13-30-22)11-12-28(20)14-18-6-7-18;2*3-2(4,5)1(6)7/h3-5,8,13,15,18,20H,1-2,6-7,9-12,14,16-17H2;2*(H,6,7)
InChIKeyKOZYXRCTCOTZHM-UHFFFAOYSA-N
XLogP4.93
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.65
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171694151
2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155831221
4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid)
CID 155831488
2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
CID 131671379
2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155852445
furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155865559
3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzoic acid
CID 72844091
2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155831487
2-[1-methyl-4-[(3-methylphenyl)methyl]piperazin-2-yl]-5-pyridin-4-ylimidazo[1,2-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155831070
2-[[4-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155831637
(2S,3aS,7aR)-N-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155845032
N-[[(3S,3aR,7aR)-5-(1,3-thiazol-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 171673262

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (CID 171695631) is 2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(N2CCCC2)n2cc(C3CN(Cc4nccs4)CCN3CC3CC3)nc2c1.
What is the InChIKey of 2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is KOZYXRCTCOTZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6S.2C2HF3O2/c1-2-10-27(9-1)23-5-3-4-21-25-19(15-29(21)23)20-16-26(17-22-24-8-13-30-22)11-12-28(20)14-18-6-7-18;2*3-2(4,5)1(6)7/h3-5,8,13,15,18,20H,1-2,6-7,9-12,14,16-17H2;2*(H,6,7).
What are the key properties of 2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 650.65 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171695631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).