N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H30F3N5O3 — CID 164822099

IUPACN-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCC(C)(O)CC3)cc2n1
InChIInChI=1S/C25H30F3N5O3/c1-23(2,35)8-7-16-14-33-15-18(31-22(34)17-5-4-6-20(30-17)25(26,27)28)19(13-21(33)29-16)32-11-9-24(3,36)10-12-32/h4-6,13-15,35-36H,7-12H2,1-3H3,(H,31,34)
InChIKeyYCYPPRRGZJWHTH-UHFFFAOYSA-N
MW505.54 g/mol
LogP4.06
Rot. Bonds6

About N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164822099) has the molecular formula C25H30F3N5O3 and a molecular weight of 505.54 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164822099
Molecular FormulaC25H30F3N5O3
Molecular Weight505.54 g/mol
Exact Mass505.23
IUPAC NameN-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCC(C)(O)CC3)cc2n1
InChIInChI=1S/C25H30F3N5O3/c1-23(2,35)8-7-16-14-33-15-18(31-22(34)17-5-4-6-20(30-17)25(26,27)28)19(13-21(33)29-16)32-11-9-24(3,36)10-12-32/h4-6,13-15,35-36H,7-12H2,1-3H3,(H,31,34)
InChIKeyYCYPPRRGZJWHTH-UHFFFAOYSA-N
XLogP4.06
TPSA102.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

US9718828, Example, 397
CID 71226110
US9718828, Example, 486
CID 71226521
US10087188, Example 46
CID 90283189
US10087188, Example 1
CID 121454909
US10087188, Example 13
CID 121454977
US10087188, Example 30
CID 121454982
US10087188, Example 34
CID 121455511
US10087188, Example 80
CID 121455652
US10087188, Example 154
CID 121455673
US10087188, Example 158
CID 121455701
US10087188, Example 99
CID 121455810
4-[8-amino-3-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 137633880

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164822099) is N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCC(C)(O)CC3)cc2n1.
What is the InChIKey of N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YCYPPRRGZJWHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O3/c1-23(2,35)8-7-16-14-33-15-18(31-22(34)17-5-4-6-20(30-17)25(26,27)28)19(13-21(33)29-16)32-11-9-24(3,36)10-12-32/h4-6,13-15,35-36H,7-12H2,1-3H3,(H,31,34).
What are the key properties of N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 505.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-3-methylbutyl)-7-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164822099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).