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

C24H29F3N6 — CID 145424545

IUPAC5-(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)cn23)CC1
InChIInChI=1S/C24H29F3N6/c1-30-12-14-32(15-13-30)22-10-4-9-21-29-18(16-33(21)22)19-7-3-8-20(31(19)2)23-17(24(25,26)27)6-5-11-28-23/h4-6,9-11,16,19-20H,3,7-8,12-15H2,1-2H3/t19-,20+/m1/s1
InChIKeyNRHXCZKBCQCCHF-UXHICEINSA-N
MW458.53 g/mol
LogP4.40
Rot. Bonds3

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

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 145424545) has the molecular formula C24H29F3N6 and a molecular weight of 458.53 g/mol. Its IUPAC name is 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 Name5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID145424545
Molecular FormulaC24H29F3N6
Molecular Weight458.53 g/mol
Exact Mass458.24
IUPAC Name5-(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)cn23)CC1
InChIInChI=1S/C24H29F3N6/c1-30-12-14-32(15-13-30)22-10-4-9-21-29-18(16-33(21)22)19-7-3-8-20(31(19)2)23-17(24(25,26)27)6-5-11-28-23/h4-6,9-11,16,19-20H,3,7-8,12-15H2,1-2H3/t19-,20+/m1/s1
InChIKeyNRHXCZKBCQCCHF-UXHICEINSA-N
XLogP4.40
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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 5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine (CID 145424545) is 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 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 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)cn23)CC1.
What is the InChIKey of 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 NRHXCZKBCQCCHF-UXHICEINSA-N. The full InChI is InChI=1S/C24H29F3N6/c1-30-12-14-32(15-13-30)22-10-4-9-21-29-18(16-33(21)22)19-7-3-8-20(31(19)2)23-17(24(25,26)27)6-5-11-28-23/h4-6,9-11,16,19-20H,3,7-8,12-15H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
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 458.53 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 145424545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).