(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

C20H20FN7O2 — CID 169166263

IUPAC(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
SMILESCC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3cccc(F)n3n2)o1
InChIInChI=1S/C20H20FN7O2/c1-20(2,3)19-25-24-17(30-19)18(29)27-8-7-12-15(23-10-22-12)16(27)13-9-11-5-4-6-14(21)28(11)26-13/h4-6,9-10,16H,7-8H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyKKHLMMYSOBFBCU-MRXNPFEDSA-N
MW409.43 g/mol
LogP2.66
Rot. Bonds2

About (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

(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 (PubChem CID 169166263) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169166263
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name(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
SMILESCC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3cccc(F)n3n2)o1
InChIInChI=1S/C20H20FN7O2/c1-20(2,3)19-25-24-17(30-19)18(29)27-8-7-12-15(23-10-22-12)16(27)13-9-11-5-4-6-14(21)28(11)26-13/h4-6,9-10,16H,7-8H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyKKHLMMYSOBFBCU-MRXNPFEDSA-N
XLogP2.66
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

[(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-(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
[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
[(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-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332828
[(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
[(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)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332739
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332732
[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
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332924
[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170380326

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3cccc(F)n3n2)o1.
What is the InChIKey of (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?
The InChIKey is KKHLMMYSOBFBCU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-20(2,3)19-25-24-17(30-19)18(29)27-8-7-12-15(23-10-22-12)16(27)13-9-11-5-4-6-14(21)28(11)26-13/h4-6,9-10,16H,7-8H2,1-3H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 409.43 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 169166263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).