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

C20H14F2N8O3 — CID 169162839

IUPAC[(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(-c2cnn(C(F)F)c2)o1)N1CCc2[nH]cnc2[C@H]1c1nc2ccccc2o1
InChIInChI=1S/C20H14F2N8O3/c21-20(22)30-8-10(7-25-30)16-27-28-18(33-16)19(31)29-6-5-12-14(24-9-23-12)15(29)17-26-11-3-1-2-4-13(11)32-17/h1-4,7-9,15,20H,5-6H2,(H,23,24)/t15-/m0/s1
InChIKeyDYLZGQCMQRWGSJ-HNNXBMFYSA-N
MW452.38 g/mol
LogP2.98
Rot. Bonds4

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

[(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 169162839) has the molecular formula C20H14F2N8O3 and a molecular weight of 452.38 g/mol. Its IUPAC name is [(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone
PubChem CID169162839
Molecular FormulaC20H14F2N8O3
Molecular Weight452.38 g/mol
Exact Mass452.12
IUPAC Name[(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(-c2cnn(C(F)F)c2)o1)N1CCc2[nH]cnc2[C@H]1c1nc2ccccc2o1
InChIInChI=1S/C20H14F2N8O3/c21-20(22)30-8-10(7-25-30)16-27-28-18(33-16)19(31)29-6-5-12-14(24-9-23-12)15(29)17-26-11-3-1-2-4-13(11)32-17/h1-4,7-9,15,20H,5-6H2,(H,23,24)/t15-/m0/s1
InChIKeyDYLZGQCMQRWGSJ-HNNXBMFYSA-N
XLogP2.98
TPSA131.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of [(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone (CID 169162839) is [(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for [(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for [(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone is O=C(c1nnc(-c2cnn(C(F)F)c2)o1)N1CCc2[nH]cnc2[C@H]1c1nc2ccccc2o1.
What is the InChIKey of [(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is DYLZGQCMQRWGSJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H14F2N8O3/c21-20(22)30-8-10(7-25-30)16-27-28-18(33-16)19(31)29-6-5-12-14(24-9-23-12)15(29)17-26-11-3-1-2-4-13(11)32-17/h1-4,7-9,15,20H,5-6H2,(H,23,24)/t15-/m0/s1.
What are the key properties of [(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone?
[(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 452.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 169162839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).