N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide

C24H27F3N4O3 — CID 171573966

IUPACN-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(-c3cccc(C(F)(F)F)n3)cn2cc1C(=O)NC1CCC(CO)CC1
InChIInChI=1S/C24H27F3N4O3/c1-14(2)34-20-10-22-30-19(18-4-3-5-21(29-18)24(25,26)27)12-31(22)11-17(20)23(33)28-16-8-6-15(13-32)7-9-16/h3-5,10-12,14-16,32H,6-9,13H2,1-2H3,(H,28,33)
InChIKeyISFHMOFKNUKBOH-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.48
Rot. Bonds6

About N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 171573966) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID171573966
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(-c3cccc(C(F)(F)F)n3)cn2cc1C(=O)NC1CCC(CO)CC1
InChIInChI=1S/C24H27F3N4O3/c1-14(2)34-20-10-22-30-19(18-4-3-5-21(29-18)24(25,26)27)12-31(22)11-17(20)23(33)28-16-8-6-15(13-32)7-9-16/h3-5,10-12,14-16,32H,6-9,13H2,1-2H3,(H,28,33)
InChIKeyISFHMOFKNUKBOH-UHFFFAOYSA-N
XLogP4.48
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 171573966) is N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(-c3cccc(C(F)(F)F)n3)cn2cc1C(=O)NC1CCC(CO)CC1.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ISFHMOFKNUKBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-14(2)34-20-10-22-30-19(18-4-3-5-21(29-18)24(25,26)27)12-31(22)11-17(20)23(33)28-16-8-6-15(13-32)7-9-16/h3-5,10-12,14-16,32H,6-9,13H2,1-2H3,(H,28,33).
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 171573966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).