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

C19H16BrN7O2 — CID 169165253

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

[(4S)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 169165253) has the molecular formula C19H16BrN7O2 and a molecular weight of 454.29 g/mol. Its IUPAC name is [(4S)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

• Compound Name: [(4S)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone
• PubChem CID: 169165253
• Molecular Formula: C19H16BrN7O2
• Molecular Weight: 454.29 g/mol
• Exact Mass: 453.05
• IUPAC Name: [(4S)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone
• SMILES: O=C(c1nnc(C2CC2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2c(Br)cccn2n1
• InChI: InChI=1S/C19H16BrN7O2/c20-11-2-1-6-27-14(11)8-13(25-27)16-15-12(21-9-22-15)5-7-26(16)19(28)18-24-23-17(29-18)10-3-4-10/h1-2,6,8-10,16H,3-5,7H2,(H,21,22)/t16-/m1/s1
• InChIKey: GCCKRMQCQOYPFB-MRXNPFEDSA-N
• XLogP: 2.87
• TPSA: 105.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.29
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [(4S)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone (CID 169165253) is [(4S)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone.

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

The canonical SMILES for [(4S)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1nnc(C2CC2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2c(Br)cccn2n1.

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

The InChIKey is GCCKRMQCQOYPFB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16BrN7O2/c20-11-2-1-6-27-14(11)8-13(25-27)16-15-12(21-9-22-15)5-7-26(16)19(28)18-24-23-17(29-18)10-3-4-10/h1-2,6,8-10,16H,3-5,7H2,(H,21,22)/t16-/m1/s1.

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

[(4S)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 454.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 169165253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).