1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine

C32H29FN6O — CID 126554590

About 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine

1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine (PubChem CID 126554590) has the molecular formula C32H29FN6O and a molecular weight of 532.62 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine.

Molecular Properties

• Compound Name: 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine
• PubChem CID: 126554590
• Molecular Formula: C32H29FN6O
• Molecular Weight: 532.62 g/mol
• Exact Mass: 532.24
• IUPAC Name: 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine
• SMILES: Fc1cccc(-c2cncc3[nH]c(C4=NCCc5cnc(-c6cncc(OCCN7CCCC7)c6)cc54)cc23)c1
• InChI: InChI=1S/C32H29FN6O/c33-24-5-3-4-21(12-24)28-19-35-20-31-27(28)15-30(38-31)32-26-14-29(37-17-22(26)6-7-36-32)23-13-25(18-34-16-23)40-11-10-39-8-1-2-9-39/h3-5,12-20,38H,1-2,6-11H2
• InChIKey: ZAILZTRQVRXVBQ-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 79.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.62
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine?

The IUPAC name of 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine (CID 126554590) is 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine.

What is the SMILES notation for 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine?

The canonical SMILES for 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine is Fc1cccc(-c2cncc3[nH]c(C4=NCCc5cnc(-c6cncc(OCCN7CCCC7)c6)cc54)cc23)c1.

What is the InChIKey of 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine?

The InChIKey is ZAILZTRQVRXVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN6O/c33-24-5-3-4-21(12-24)28-19-35-20-31-27(28)15-30(38-31)32-26-14-29(37-17-22(26)6-7-36-32)23-13-25(18-34-16-23)40-11-10-39-8-1-2-9-39/h3-5,12-20,38H,1-2,6-11H2.

What are the key properties of 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine?

1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine has a molecular weight of 532.62 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine is sourced from PubChem (CID 126554590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).