[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C20H17F2N7O — CID 176863064

IUPAC[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1nc(C(F)F)nc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C20H17F2N7O/c1-28-19(26-18(27-28)17(21)22)20(30)29-7-6-13-15(25-10-24-13)16(29)14-8-11-4-2-3-5-12(11)9-23-14/h2-5,8-10,16-17H,6-7H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyLEEXNHBOESYMJW-MRXNPFEDSA-N
MW409.40 g/mol
LogP2.81
Rot. Bonds3

About [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 176863064) has the molecular formula C20H17F2N7O and a molecular weight of 409.40 g/mol. Its IUPAC name is [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID176863064
Molecular FormulaC20H17F2N7O
Molecular Weight409.40 g/mol
Exact Mass409.15
IUPAC Name[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1nc(C(F)F)nc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C20H17F2N7O/c1-28-19(26-18(27-28)17(21)22)20(30)29-7-6-13-15(25-10-24-13)16(29)14-8-11-4-2-3-5-12(11)9-23-14/h2-5,8-10,16-17H,6-7H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyLEEXNHBOESYMJW-MRXNPFEDSA-N
XLogP2.81
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone
CID 169166472
[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169166929
[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863069
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863210
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 169166856
[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863059
[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863180
(5-chloro-2-methyl-1,2,4-triazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332439
[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169164940
1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 169166586
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332965
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333481

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 176863064) is [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cn1nc(C(F)F)nc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1.
What is the InChIKey of [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is LEEXNHBOESYMJW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H17F2N7O/c1-28-19(26-18(27-28)17(21)22)20(30)29-7-6-13-15(25-10-24-13)16(29)14-8-11-4-2-3-5-12(11)9-23-14/h2-5,8-10,16-17H,6-7H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 409.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 176863064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).