[(4S)-4-(7-fluoropyrazolo[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

C20H13F4N9O2 — CID 169165803

IUPAC[(4S)-4-(7-fluoropyrazolo[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
SMILESO=C(c1nnc(-c2ccn(C(F)(F)F)n2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2cccc(F)n2n1
InChIInChI=1S/C20H13F4N9O2/c21-14-3-1-2-10-8-13(30-33(10)14)16-15-11(25-9-26-15)4-6-31(16)19(34)18-28-27-17(35-18)12-5-7-32(29-12)20(22,23)24/h1-3,5,7-9,16H,4,6H2,(H,25,26)/t16-/m1/s1
InChIKeyVKBLDUNZNOAMLC-MRXNPFEDSA-N
MW487.38 g/mol
LogP2.71
Rot. Bonds3

About [(4S)-4-(7-fluoropyrazolo[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

[(4S)-4-(7-fluoropyrazolo[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 (PubChem CID 169165803) has the molecular formula C20H13F4N9O2 and a molecular weight of 487.38 g/mol. Its IUPAC name is [(4S)-4-(7-fluoropyrazolo[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.

Molecular Properties

Compound Name[(4S)-4-(7-fluoropyrazolo[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
PubChem CID169165803
Molecular FormulaC20H13F4N9O2
Molecular Weight487.38 g/mol
Exact Mass487.11
IUPAC Name[(4S)-4-(7-fluoropyrazolo[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
SMILESO=C(c1nnc(-c2ccn(C(F)(F)F)n2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2cccc(F)n2n1
InChIInChI=1S/C20H13F4N9O2/c21-14-3-1-2-10-8-13(30-33(10)14)16-15-11(25-9-26-15)4-6-31(16)19(34)18-28-27-17(35-18)12-5-7-32(29-12)20(22,23)24/h1-3,5,7-9,16H,4,6H2,(H,25,26)/t16-/m1/s1
InChIKeyVKBLDUNZNOAMLC-MRXNPFEDSA-N
XLogP2.71
TPSA123.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[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
[4-[7-(difluoromethyl)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 170333811
[(4S)-4-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 169166008
[(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
[(4R)-4-(7-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169165482
(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
[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]-[4-(7-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165398
[(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
[5-[1-(difluoromethyl)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 169165976
[4-[4-(trifluoromethoxy)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 170332129
[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
[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 170332705

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(7-fluoropyrazolo[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?
The IUPAC name of [(4S)-4-(7-fluoropyrazolo[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 169165803) is [(4S)-4-(7-fluoropyrazolo[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.
What is the SMILES notation for [(4S)-4-(7-fluoropyrazolo[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?
The canonical SMILES for [(4S)-4-(7-fluoropyrazolo[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 is O=C(c1nnc(-c2ccn(C(F)(F)F)n2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2cccc(F)n2n1.
What is the InChIKey of [(4S)-4-(7-fluoropyrazolo[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?
The InChIKey is VKBLDUNZNOAMLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H13F4N9O2/c21-14-3-1-2-10-8-13(30-33(10)14)16-15-11(25-9-26-15)4-6-31(16)19(34)18-28-27-17(35-18)12-5-7-32(29-12)20(22,23)24/h1-3,5,7-9,16H,4,6H2,(H,25,26)/t16-/m1/s1.
What are the key properties of [(4S)-4-(7-fluoropyrazolo[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?
[(4S)-4-(7-fluoropyrazolo[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 has a molecular weight of 487.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(7-fluoropyrazolo[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 is sourced from PubChem (CID 169165803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).