N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C27H29N7O4 — CID 145406883

About N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 145406883) has the molecular formula C27H29N7O4 and a molecular weight of 515.57 g/mol. Its IUPAC name is N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 145406883
• Molecular Formula: C27H29N7O4
• Molecular Weight: 515.57 g/mol
• Exact Mass: 515.23
• IUPAC Name: N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CC5CCCN5CC4=O)c(C=O)nc32)cc1OC1CC1
• InChI: InChI=1S/C27H29N7O4/c28-11-19-12-29-24(10-23(19)38-21-5-6-21)31-27(37)34-8-1-3-17-9-18(22(16-35)30-26(17)34)13-33-14-20-4-2-7-32(20)15-25(33)36/h9-10,12,16,20-21H,1-8,13-15H2,(H,29,31,37)
• InChIKey: WRIUCPJKCGHLFQ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 131.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.57
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 145406883) is N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CC5CCCN5CC4=O)c(C=O)nc32)cc1OC1CC1.

What is the InChIKey of N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is WRIUCPJKCGHLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O4/c28-11-19-12-29-24(10-23(19)38-21-5-6-21)31-27(37)34-8-1-3-17-9-18(22(16-35)30-26(17)34)13-33-14-20-4-2-7-32(20)15-25(33)36/h9-10,12,16,20-21H,1-8,13-15H2,(H,29,31,37).

What are the key properties of N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 515.57 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyano-4-cyclopropyloxy-2-pyridinyl)-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 145406883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).