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

C23H27F3N6O2 — CID 164822095

IUPACN-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCNCC3)cc2n1
InChIInChI=1S/C23H27F3N6O2/c1-22(2,34)7-6-15-13-32-14-17(18(12-20(32)28-15)31-10-8-27-9-11-31)30-21(33)16-4-3-5-19(29-16)23(24,25)26/h3-5,12-14,27,34H,6-11H2,1-2H3,(H,30,33)
InChIKeyBREPDAQUAGVWAP-UHFFFAOYSA-N
MW476.50 g/mol
LogP3.11
Rot. Bonds6

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

N-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164822095) has the molecular formula C23H27F3N6O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164822095
Molecular FormulaC23H27F3N6O2
Molecular Weight476.50 g/mol
Exact Mass476.21
IUPAC NameN-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCNCC3)cc2n1
InChIInChI=1S/C23H27F3N6O2/c1-22(2,34)7-6-15-13-32-14-17(18(12-20(32)28-15)31-10-8-27-9-11-31)30-21(33)16-4-3-5-19(29-16)23(24,25)26/h3-5,12-14,27,34H,6-11H2,1-2H3,(H,30,33)
InChIKeyBREPDAQUAGVWAP-UHFFFAOYSA-N
XLogP3.11
TPSA94.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164822095) is N-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[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(N3CCNCC3)cc2n1.
What is the InChIKey of N-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BREPDAQUAGVWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O2/c1-22(2,34)7-6-15-13-32-14-17(18(12-20(32)28-15)31-10-8-27-9-11-31)30-21(33)16-4-3-5-19(29-16)23(24,25)26/h3-5,12-14,27,34H,6-11H2,1-2H3,(H,30,33).
What are the key properties of N-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 3.11, 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-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164822095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).