cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C15H20F3N3O — CID 95149733

IUPACcis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)11-3-1-2-10(8-11)14(22)20-12-4-5-13-19-6-7-21(13)9-12/h6-7,10-12H,1-5,8-9H2,(H,20,22)/t10-,11+,12-/m1/s1
InChIKeyKYSXNVXJRMWWRR-GRYCIOLGSA-N
MW315.34 g/mol
LogP2.68
Rot. Bonds2

About cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 95149733) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID95149733
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Namecis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)11-3-1-2-10(8-11)14(22)20-12-4-5-13-19-6-7-21(13)9-12/h6-7,10-12H,1-5,8-9H2,(H,20,22)/t10-,11+,12-/m1/s1
InChIKeyKYSXNVXJRMWWRR-GRYCIOLGSA-N
XLogP2.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 95149733) is cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is KYSXNVXJRMWWRR-GRYCIOLGSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)11-3-1-2-10(8-11)14(22)20-12-4-5-13-19-6-7-21(13)9-12/h6-7,10-12H,1-5,8-9H2,(H,20,22)/t10-,11+,12-/m1/s1.
What are the key properties of cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 95149733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).