[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C30H36N6O2 — CID 164555222

About [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 164555222) has the molecular formula C30H36N6O2 and a molecular weight of 512.66 g/mol. Its IUPAC name is [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

• Compound Name: [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• PubChem CID: 164555222
• Molecular Formula: C30H36N6O2
• Molecular Weight: 512.66 g/mol
• Exact Mass: 512.29
• IUPAC Name: [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• SMILES: COc1cc(C(=O)N2CC[C@H]3NCCC[C@H]3C2)cc2nc(-c3cc4ccc(C)nc4n3CC3CC3)c(C)n12
• InChI: InChI=1S/C30H36N6O2/c1-18-6-9-21-13-25(35(29(21)32-18)16-20-7-8-20)28-19(2)36-26(33-28)14-23(15-27(36)38-3)30(37)34-12-10-24-22(17-34)5-4-11-31-24/h6,9,13-15,20,22,24,31H,4-5,7-8,10-12,16-17H2,1-3H3/t22-,24+/m0/s1
• InChIKey: ZPBMXLFXMMHGQN-LADGPHEKSA-N
• XLogP: 4.60
• TPSA: 76.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.66
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The IUPAC name of [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 164555222) is [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

What is the SMILES notation for [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The canonical SMILES for [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is COc1cc(C(=O)N2CC[C@H]3NCCC[C@H]3C2)cc2nc(-c3cc4ccc(C)nc4n3CC3CC3)c(C)n12.

What is the InChIKey of [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The InChIKey is ZPBMXLFXMMHGQN-LADGPHEKSA-N. The full InChI is InChI=1S/C30H36N6O2/c1-18-6-9-21-13-25(35(29(21)32-18)16-20-7-8-20)28-19(2)36-26(33-28)14-23(15-27(36)38-3)30(37)34-12-10-24-22(17-34)5-4-11-31-24/h6,9,13-15,20,22,24,31H,4-5,7-8,10-12,16-17H2,1-3H3/t22-,24+/m0/s1.

What are the key properties of [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 512.66 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 164555222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).