3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine

C24H28ClF3N6 — CID 145424587

IUPAC3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C(F)(F)F)N4C)c(Cl)n23)CC1
InChIInChI=1S/C24H28ClF3N6/c1-31-12-14-33(15-13-31)20-10-4-9-19-30-22(23(25)34(19)20)18-8-3-7-17(32(18)2)21-16(24(26,27)28)6-5-11-29-21/h4-6,9-11,17-18H,3,7-8,12-15H2,1-2H3/t17-,18+/m0/s1
InChIKeySYIGPBIMZRSCMT-ZWKOTPCHSA-N
MW492.98 g/mol
LogP5.05
Rot. Bonds3

About 3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine

3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 145424587) has the molecular formula C24H28ClF3N6 and a molecular weight of 492.98 g/mol. Its IUPAC name is 3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID145424587
Molecular FormulaC24H28ClF3N6
Molecular Weight492.98 g/mol
Exact Mass492.20
IUPAC Name3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C(F)(F)F)N4C)c(Cl)n23)CC1
InChIInChI=1S/C24H28ClF3N6/c1-31-12-14-33(15-13-31)20-10-4-9-19-30-22(23(25)34(19)20)18-8-3-7-17(32(18)2)21-16(24(26,27)28)6-5-11-29-21/h4-6,9-11,17-18H,3,7-8,12-15H2,1-2H3/t17-,18+/m0/s1
InChIKeySYIGPBIMZRSCMT-ZWKOTPCHSA-N
XLogP5.05
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.98
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine (CID 145424587) is 3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine is CN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5C(F)(F)F)N4C)c(Cl)n23)CC1.
What is the InChIKey of 3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is SYIGPBIMZRSCMT-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H28ClF3N6/c1-31-12-14-33(15-13-31)20-10-4-9-19-30-22(23(25)34(19)20)18-8-3-7-17(32(18)2)21-16(24(26,27)28)6-5-11-29-21/h4-6,9-11,17-18H,3,7-8,12-15H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of 3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 492.98 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).