N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C23H26F3N5O2 — CID 146386215

IUPACN-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CCC(c2cn3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1
InChIInChI=1S/C23H26F3N5O2/c1-22(2,33)15-11-20-28-17(14-7-9-30(3)10-8-14)12-31(20)13-18(15)29-21(32)16-5-4-6-19(27-16)23(24,25)26/h4-6,11-14,33H,7-10H2,1-3H3,(H,29,32)
InChIKeyFMRMQQLDEQEWJP-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.04
Rot. Bonds4

About N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 146386215) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID146386215
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC NameN-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CCC(c2cn3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1
InChIInChI=1S/C23H26F3N5O2/c1-22(2,33)15-11-20-28-17(14-7-9-30(3)10-8-14)12-31(20)13-18(15)29-21(32)16-5-4-6-19(27-16)23(24,25)26/h4-6,11-14,33H,7-10H2,1-3H3,(H,29,32)
InChIKeyFMRMQQLDEQEWJP-UHFFFAOYSA-N
XLogP4.04
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 146386215) is N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN1CCC(c2cn3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1.
What is the InChIKey of N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FMRMQQLDEQEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-22(2,33)15-11-20-28-17(14-7-9-30(3)10-8-14)12-31(20)13-18(15)29-21(32)16-5-4-6-19(27-16)23(24,25)26/h4-6,11-14,33H,7-10H2,1-3H3,(H,29,32).
What are the key properties of N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146386215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).