[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H17F2N9O2 — CID 170332448

IUPAC[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccn2nc(C3c4nc[nH]c4CCN3C(=O)c3nnc(-c4ccn(C(F)F)n4)o3)cc12
InChIInChI=1S/C21H17F2N9O2/c1-11-3-2-6-31-15(11)9-14(29-31)17-16-12(24-10-25-16)4-7-30(17)20(33)19-27-26-18(34-19)13-5-8-32(28-13)21(22)23/h2-3,5-6,8-10,17,21H,4,7H2,1H3,(H,24,25)
InChIKeyWHRHMRKRDGESFW-UHFFFAOYSA-N
MW465.42 g/mol
LogP2.80
Rot. Bonds4

About [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170332448) has the molecular formula C21H17F2N9O2 and a molecular weight of 465.42 g/mol. Its IUPAC name is [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170332448
Molecular FormulaC21H17F2N9O2
Molecular Weight465.42 g/mol
Exact Mass465.15
IUPAC Name[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccn2nc(C3c4nc[nH]c4CCN3C(=O)c3nnc(-c4ccn(C(F)F)n4)o3)cc12
InChIInChI=1S/C21H17F2N9O2/c1-11-3-2-6-31-15(11)9-14(29-31)17-16-12(24-10-25-16)4-7-30(17)20(33)19-27-26-18(34-19)13-5-8-32(28-13)21(22)23/h2-3,5-6,8-10,17,21H,4,7H2,1H3,(H,24,25)
InChIKeyWHRHMRKRDGESFW-UHFFFAOYSA-N
XLogP2.80
TPSA123.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169166144
[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 174213713
[(4R)-4-(4-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 169165594
[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165976
[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169308432
[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 170333812
(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332218
[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-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333256
[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(4-methyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 174213735
[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 170332389
[5-[1-(1-fluoroethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170386358

Frequently Asked Questions

What is the IUPAC name of [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170332448) is [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1cccn2nc(C3c4nc[nH]c4CCN3C(=O)c3nnc(-c4ccn(C(F)F)n4)o3)cc12.
What is the InChIKey of [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is WHRHMRKRDGESFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N9O2/c1-11-3-2-6-31-15(11)9-14(29-31)17-16-12(24-10-25-16)4-7-30(17)20(33)19-27-26-18(34-19)13-5-8-32(28-13)21(22)23/h2-3,5-6,8-10,17,21H,4,7H2,1H3,(H,24,25).
What are the key properties of [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 465.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170332448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).