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

C20H17N7O2 — CID 176863079

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

(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 176863079) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 176863079
• Molecular Formula: C20H17N7O2
• Molecular Weight: 387.40 g/mol
• Exact Mass: 387.14
• IUPAC Name: (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: O=C(c1nnc(C2CC2)o1)N1CCc2[nH]cnc2[C@H]1c1ncc2ccccc2n1
• InChI: InChI=1S/C20H17N7O2/c28-20(19-26-25-18(29-19)11-5-6-11)27-8-7-14-15(23-10-22-14)16(27)17-21-9-12-3-1-2-4-13(12)24-17/h1-4,9-11,16H,5-8H2,(H,22,23)/t16-/m0/s1
• InChIKey: UTFCBXZRBNOCQZ-INIZCTEOSA-N
• XLogP: 2.40
• TPSA: 113.69 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	387.40
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 176863079) is (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

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

The canonical SMILES for (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1nnc(C2CC2)o1)N1CCc2[nH]cnc2[C@H]1c1ncc2ccccc2n1.

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

The InChIKey is UTFCBXZRBNOCQZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17N7O2/c28-20(19-26-25-18(29-19)11-5-6-11)27-8-7-14-15(23-10-22-14)16(27)17-21-9-12-3-1-2-4-13(12)24-17/h1-4,9-11,16H,5-8H2,(H,22,23)/t16-/m0/s1.

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

(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 387.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 176863079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).