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

C22H19I2N9O2 — CID 170389351

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

[(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 170389351) has the molecular formula C22H19I2N9O2 and a molecular weight of 695.26 g/mol. Its IUPAC name is [(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

• Compound Name: [(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
• PubChem CID: 170389351
• Molecular Formula: C22H19I2N9O2
• Molecular Weight: 695.26 g/mol
• Exact Mass: 694.98
• IUPAC Name: [(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
• SMILES: Cc1nn(C)cc1-c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3c(C(I)I)cccn3n2)o1
• InChI: InChI=1S/C22H19I2N9O2/c1-11-13(9-31(2)29-11)20-27-28-21(35-20)22(34)32-7-5-14-17(26-10-25-14)18(32)15-8-16-12(19(23)24)4-3-6-33(16)30-15/h3-4,6,8-10,18-19H,5,7H2,1-2H3,(H,25,26)/t18-/m1/s1
• InChIKey: MYILGCFJRNJMEV-GOSISDBHSA-N
• XLogP: 3.81
• TPSA: 123.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	695.26
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?

The IUPAC name of [(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone (CID 170389351) is [(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone.

What is the SMILES notation for [(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?

The canonical SMILES for [(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone is Cc1nn(C)cc1-c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3c(C(I)I)cccn3n2)o1.

What is the InChIKey of [(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?

The InChIKey is MYILGCFJRNJMEV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H19I2N9O2/c1-11-13(9-31(2)29-11)20-27-28-21(35-20)22(34)32-7-5-14-17(26-10-25-14)18(32)15-8-16-12(19(23)24)4-3-6-33(16)30-15/h3-4,6,8-10,18-19H,5,7H2,1-2H3,(H,25,26)/t18-/m1/s1.

What are the key properties of [(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?

[(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 695.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 170389351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).