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

C27H35F6N5O4 — CID 171694151

IUPAC2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(N2CCCC2)n2cc(C3CN(CC4CC4)CCN3CC3CC3)nc2c1
InChIInChI=1S/C23H33N5.2C2HF3O2/c1-2-11-26(10-1)23-5-3-4-22-24-20(16-28(22)23)21-17-25(14-18-6-7-18)12-13-27(21)15-19-8-9-19;2*3-2(4,5)1(6)7/h3-5,16,18-19,21H,1-2,6-15,17H2;2*(H,6,7)
InChIKeyGVZWPWJUBCVMSA-UHFFFAOYSA-N
MW607.60 g/mol
LogP4.68
Rot. Bonds6

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

2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171694151) has the molecular formula C27H35F6N5O4 and a molecular weight of 607.60 g/mol. Its IUPAC name is 2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID171694151
Molecular FormulaC27H35F6N5O4
Molecular Weight607.60 g/mol
Exact Mass607.26
IUPAC Name2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(N2CCCC2)n2cc(C3CN(CC4CC4)CCN3CC3CC3)nc2c1
InChIInChI=1S/C23H33N5.2C2HF3O2/c1-2-11-26(10-1)23-5-3-4-22-24-20(16-28(22)23)21-17-25(14-18-6-7-18)12-13-27(21)15-19-8-9-19;2*3-2(4,5)1(6)7/h3-5,16,18-19,21H,1-2,6-15,17H2;2*(H,6,7)
InChIKeyGVZWPWJUBCVMSA-UHFFFAOYSA-N
XLogP4.68
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.60
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-[[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
2-[1-(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
CID 131671380
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-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 171692494
2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
CID 131671372
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
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]cyclohexan-1-ol;bis(2,2,2-trifluoroacetic acid)
CID 154924391
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155829349
[4-(cyclobutylmethyl)piperazin-1-yl]-isoquinolin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 154891501

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 171694151) is 2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;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(CC4CC4)CCN3CC3CC3)nc2c1.
What is the InChIKey of 2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is GVZWPWJUBCVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5.2C2HF3O2/c1-2-11-26(10-1)23-5-3-4-22-24-20(16-28(22)23)21-17-25(14-18-6-7-18)12-13-27(21)15-19-8-9-19;2*3-2(4,5)1(6)7/h3-5,16,18-19,21H,1-2,6-15,17H2;2*(H,6,7).
What are the key properties of 2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 607.60 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171694151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).