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

C21H16F3N9O2 — CID 170332647

IUPAC[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4C3c3cc4c(C(F)(F)F)cccn4n3)o2)cn1
InChIInChI=1S/C21H16F3N9O2/c1-31-9-11(8-27-31)18-28-29-19(35-18)20(34)32-6-4-13-16(26-10-25-13)17(32)14-7-15-12(21(22,23)24)3-2-5-33(15)30-14/h2-3,5,7-10,17H,4,6H2,1H3,(H,25,26)
InChIKeyBRRARWYJWHQCRS-UHFFFAOYSA-N
MW483.41 g/mol
LogP2.65
Rot. Bonds3

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

[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170332647) has the molecular formula C21H16F3N9O2 and a molecular weight of 483.41 g/mol. Its IUPAC name is [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170332647
Molecular FormulaC21H16F3N9O2
Molecular Weight483.41 g/mol
Exact Mass483.14
IUPAC Name[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4C3c3cc4c(C(F)(F)F)cccn4n3)o2)cn1
InChIInChI=1S/C21H16F3N9O2/c1-31-9-11(8-27-31)18-28-29-19(35-18)20(34)32-6-4-13-16(26-10-25-13)17(32)14-7-15-12(21(22,23)24)3-2-5-33(15)30-14/h2-3,5,7-10,17H,4,6H2,1H3,(H,25,26)
InChIKeyBRRARWYJWHQCRS-UHFFFAOYSA-N
XLogP2.65
TPSA123.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[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

[(4R)-4-(4-bromopyrazolo[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 169165266
[4-(4-cyclopropylpyrazolo[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 170333400
(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 174213746
[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
(5-pyrimidin-2-yl-1,3,4-oxadiazol-2-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332117
[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333015
(5-methyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332974
[(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
[2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-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 169166354
[2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165428
[(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
[(4S)-4-[7-(difluoromethyl)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 170334249

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170332647) is [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[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-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4C3c3cc4c(C(F)(F)F)cccn4n3)o2)cn1.
What is the InChIKey of [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is BRRARWYJWHQCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N9O2/c1-31-9-11(8-27-31)18-28-29-19(35-18)20(34)32-6-4-13-16(26-10-25-13)17(32)14-7-15-12(21(22,23)24)3-2-5-33(15)30-14/h2-3,5,7-10,17H,4,6H2,1H3,(H,25,26).
What are the key properties of [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 483.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170332647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).