[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

C21H17F2N9O3 — CID 170332811

IUPAC[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
SMILESCn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4C3c3cc4c(OC(F)F)cccn4n3)o2)cn1
InChIInChI=1S/C21H17F2N9O3/c1-30-9-11(8-26-30)18-27-28-19(35-18)20(33)31-6-4-12-16(25-10-24-12)17(31)13-7-14-15(34-21(22)23)3-2-5-32(14)29-13/h2-3,5,7-10,17,21H,4,6H2,1H3,(H,24,25)
InChIKeyVHSVZKAUKZRMNL-UHFFFAOYSA-N
MW481.42 g/mol
LogP2.23
Rot. Bonds5

About [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

[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 (PubChem CID 170332811) has the molecular formula C21H17F2N9O3 and a molecular weight of 481.42 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID170332811
Molecular FormulaC21H17F2N9O3
Molecular Weight481.42 g/mol
Exact Mass481.14
IUPAC Name[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
SMILESCn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4C3c3cc4c(OC(F)F)cccn4n3)o2)cn1
InChIInChI=1S/C21H17F2N9O3/c1-30-9-11(8-26-30)18-27-28-19(35-18)20(33)31-6-4-12-16(25-10-24-12)17(31)13-7-14-15(34-21(22)23)3-2-5-32(14)29-13/h2-3,5,7-10,17,21H,4,6H2,1H3,(H,24,25)
InChIKeyVHSVZKAUKZRMNL-UHFFFAOYSA-N
XLogP2.23
TPSA132.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4C3c3cc4c(OC(F)F)cccn4n3)o2)cn1.
What is the InChIKey of [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?
The InChIKey is VHSVZKAUKZRMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N9O3/c1-30-9-11(8-26-30)18-27-28-19(35-18)20(33)31-6-4-12-16(25-10-24-12)17(31)13-7-14-15(34-21(22)23)3-2-5-32(14)29-13/h2-3,5,7-10,17,21H,4,6H2,1H3,(H,24,25).
What are the key properties of [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?
[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 has a molecular weight of 481.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 170332811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).