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

C21H18F3N7O2 — CID 170332935

IUPAC[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC1(c2nnc(C(=O)N3CCc4[nH]cnc4C3c3cc4cccc(C(F)(F)F)n4n3)o2)CC1
InChIInChI=1S/C21H18F3N7O2/c1-20(6-7-20)19-28-27-17(33-19)18(32)30-8-5-12-15(26-10-25-12)16(30)13-9-11-3-2-4-14(21(22,23)24)31(11)29-13/h2-4,9-10,16H,5-8H2,1H3,(H,25,26)
InChIKeyBNTUYHNISMFSOE-UHFFFAOYSA-N
MW457.42 g/mol
LogP3.30
Rot. Bonds3

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

[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170332935) has the molecular formula C21H18F3N7O2 and a molecular weight of 457.42 g/mol. Its IUPAC name is [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(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-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170332935
Molecular FormulaC21H18F3N7O2
Molecular Weight457.42 g/mol
Exact Mass457.15
IUPAC Name[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC1(c2nnc(C(=O)N3CCc4[nH]cnc4C3c3cc4cccc(C(F)(F)F)n4n3)o2)CC1
InChIInChI=1S/C21H18F3N7O2/c1-20(6-7-20)19-28-27-17(33-19)18(32)30-8-5-12-15(26-10-25-12)16(30)13-9-11-3-2-4-14(21(22,23)24)31(11)29-13/h2-4,9-10,16H,5-8H2,1H3,(H,25,26)
InChIKeyBNTUYHNISMFSOE-UHFFFAOYSA-N
XLogP3.30
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(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

[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165929
[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 170333292
[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
[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333391
[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165879
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-(7-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166263
(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333455
[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332518
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333481
[(4R)-4-(7-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 169166392
[(4R)-4-(7-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 169165161
[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-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(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-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170332935) is [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(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-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(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-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CC1(c2nnc(C(=O)N3CCc4[nH]cnc4C3c3cc4cccc(C(F)(F)F)n4n3)o2)CC1.
What is the InChIKey of [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is BNTUYHNISMFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O2/c1-20(6-7-20)19-28-27-17(33-19)18(32)30-8-5-12-15(26-10-25-12)16(30)13-9-11-3-2-4-14(21(22,23)24)31(11)29-13/h2-4,9-10,16H,5-8H2,1H3,(H,25,26).
What are the key properties of [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(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 457.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(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 170332935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).