(4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C28H24N6O2 — CID 176863049

About (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 176863049) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 176863049
• Molecular Formula: C28H24N6O2
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.20
• IUPAC Name: (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: C[C@H]1CN(C(=O)c2oc(-c3ccccn3)nc2C2CC2)[C@@H](c2cc3ccccc3cn2)c2[nH]cnc21
• InChI: InChI=1S/C28H24N6O2/c1-16-14-34(28(35)26-23(17-9-10-17)33-27(36-26)20-8-4-5-11-29-20)25(24-22(16)31-15-32-24)21-12-18-6-2-3-7-19(18)13-30-21/h2-8,11-13,15-17,25H,9-10,14H2,1H3,(H,31,32)/t16-,25-/m0/s1
• InChIKey: DVMYQLBFFBAPFT-LMKMVOKYSA-N
• XLogP: 5.23
• TPSA: 100.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 176863049) is (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

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

The canonical SMILES for (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is C[C@H]1CN(C(=O)c2oc(-c3ccccn3)nc2C2CC2)[C@@H](c2cc3ccccc3cn2)c2[nH]cnc21.

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

The InChIKey is DVMYQLBFFBAPFT-LMKMVOKYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-16-14-34(28(35)26-23(17-9-10-17)33-27(36-26)20-8-4-5-11-29-20)25(24-22(16)31-15-32-24)21-12-18-6-2-3-7-19(18)13-30-21/h2-8,11-13,15-17,25H,9-10,14H2,1H3,(H,31,32)/t16-,25-/m0/s1.

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

(4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 476.54 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 176863049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).