N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

C37H40FN7O — CID 126563377

About N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 126563377) has the molecular formula C37H40FN7O and a molecular weight of 617.77 g/mol. Its IUPAC name is N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 126563377
• Molecular Formula: C37H40FN7O
• Molecular Weight: 617.77 g/mol
• Exact Mass: 617.33
• IUPAC Name: N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• SMILES: CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(C4=NCCc5ccc(-c6cncc(OCCN7CCCC7)c6)nc54)cc23)c1
• InChI: InChI=1S/C37H40FN7O/c1-44(2)15-12-40-29-19-26(18-28(38)21-29)31-6-5-7-34-32(31)22-35(42-34)37-36-25(10-11-41-37)8-9-33(43-36)27-20-30(24-39-23-27)46-17-16-45-13-3-4-14-45/h5-9,18-24,40,42H,3-4,10-17H2,1-2H3
• InChIKey: HUMVUYDLBBFDDH-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 81.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.77
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 126563377) is N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(C4=NCCc5ccc(-c6cncc(OCCN7CCCC7)c6)nc54)cc23)c1.

What is the InChIKey of N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is HUMVUYDLBBFDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40FN7O/c1-44(2)15-12-40-29-19-26(18-28(38)21-29)31-6-5-7-34-32(31)22-35(42-34)37-36-25(10-11-41-37)8-9-33(43-36)27-20-30(24-39-23-27)46-17-16-45-13-3-4-14-45/h5-9,18-24,40,42H,3-4,10-17H2,1-2H3.

What are the key properties of N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 617.77 g/mol, XLogP of 6.27, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 126563377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).