(7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C20H27F2N5O — CID 97339510

IUPAC(7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1
InChIInChI=1S/C20H27F2N5O/c1-25(13-17-23-8-10-27(17)20(21)22)19(28)15-7-9-26-16(11-15)12-24-18(26)14-5-3-2-4-6-14/h8,10,12,14-15,20H,2-7,9,11,13H2,1H3/t15-/m0/s1
InChIKeyLSXZJBNYHOBADV-HNNXBMFYSA-N
MW391.47 g/mol
LogP3.74
Rot. Bonds5

About (7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

(7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 97339510) has the molecular formula C20H27F2N5O and a molecular weight of 391.47 g/mol. Its IUPAC name is (7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID97339510
Molecular FormulaC20H27F2N5O
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name(7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1
InChIInChI=1S/C20H27F2N5O/c1-25(13-17-23-8-10-27(17)20(21)22)19(28)15-7-9-26-16(11-15)12-24-18(26)14-5-3-2-4-6-14/h8,10,12,14-15,20H,2-7,9,11,13H2,1H3/t15-/m0/s1
InChIKeyLSXZJBNYHOBADV-HNNXBMFYSA-N
XLogP3.74
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of (7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 97339510) is (7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for (7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is CN(Cc1nccn1C(F)F)C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1.
What is the InChIKey of (7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is LSXZJBNYHOBADV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27F2N5O/c1-25(13-17-23-8-10-27(17)20(21)22)19(28)15-7-9-26-16(11-15)12-24-18(26)14-5-3-2-4-6-14/h8,10,12,14-15,20H,2-7,9,11,13H2,1H3/t15-/m0/s1.
What are the key properties of (7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
(7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 97339510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).