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

C22H19F2N9O2 — CID 169308351

IUPAC[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCc1c(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@H]3c3cc4c(C(F)F)cccn4n3)o2)cnn1C
InChIInChI=1S/C22H19F2N9O2/c1-11-13(9-27-31(11)2)20-28-29-21(35-20)22(34)32-7-5-14-17(26-10-25-14)18(32)15-8-16-12(19(23)24)4-3-6-33(16)30-15/h3-4,6,8-10,18-19H,5,7H2,1-2H3,(H,25,26)/t18-/m1/s1
InChIKeyDGUXQEYCONCYSE-GOSISDBHSA-N
MW479.45 g/mol
LogP2.87
Rot. Bonds4

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

[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 169308351) has the molecular formula C22H19F2N9O2 and a molecular weight of 479.45 g/mol. Its IUPAC name is [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID169308351
Molecular FormulaC22H19F2N9O2
Molecular Weight479.45 g/mol
Exact Mass479.16
IUPAC Name[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCc1c(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@H]3c3cc4c(C(F)F)cccn4n3)o2)cnn1C
InChIInChI=1S/C22H19F2N9O2/c1-11-13(9-27-31(11)2)20-28-29-21(35-20)22(34)32-7-5-14-17(26-10-25-14)18(32)15-8-16-12(19(23)24)4-3-6-33(16)30-15/h3-4,6,8-10,18-19H,5,7H2,1-2H3,(H,25,26)/t18-/m1/s1
InChIKeyDGUXQEYCONCYSE-GOSISDBHSA-N
XLogP2.87
TPSA123.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

[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
[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 169165432
[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-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 170389358
[(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 170389351
[(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-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332448
[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165208
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169308401
[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
[2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-5-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332692
[4-[4-(difluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 170332811

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone (CID 169308351) is [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone is Cc1c(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@H]3c3cc4c(C(F)F)cccn4n3)o2)cnn1C.
What is the InChIKey of [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is DGUXQEYCONCYSE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H19F2N9O2/c1-11-13(9-27-31(11)2)20-28-29-21(35-20)22(34)32-7-5-14-17(26-10-25-14)18(32)15-8-16-12(19(23)24)4-3-6-33(16)30-15/h3-4,6,8-10,18-19H,5,7H2,1-2H3,(H,25,26)/t18-/m1/s1.
What are the key properties of [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 479.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 169308351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).