N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

C36H39FN8 — CID 145252336

About N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 145252336) has the molecular formula C36H39FN8 and a molecular weight of 602.76 g/mol. Its IUPAC name is N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 145252336
• Molecular Formula: C36H39FN8
• Molecular Weight: 602.76 g/mol
• Exact Mass: 602.33
• IUPAC Name: N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• SMILES: CN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CCCN7CCCC7)c6)cc45)cc23)c1
• InChI: InChI=1S/C36H39FN8/c1-44(2)15-11-39-29-18-26(17-28(37)20-29)35-31-21-34(41-32(31)9-10-40-35)36-30-19-25(7-8-33(30)42-43-36)27-16-24(22-38-23-27)6-5-14-45-12-3-4-13-45/h7-10,16-23,39,41H,3-6,11-15H2,1-2H3,(H,42,43)
• InChIKey: JLQPIAMIXIXQCB-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 88.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.76
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 145252336) is N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CCCN7CCCC7)c6)cc45)cc23)c1.

What is the InChIKey of N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is JLQPIAMIXIXQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39FN8/c1-44(2)15-11-39-29-18-26(17-28(37)20-29)35-31-21-34(41-32(31)9-10-40-35)36-30-19-25(7-8-33(30)42-43-36)27-16-24(22-38-23-27)6-5-14-45-12-3-4-13-45/h7-10,16-23,39,41H,3-6,11-15H2,1-2H3,(H,42,43).

What are the key properties of N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 602.76 g/mol, XLogP of 6.98, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-5-[2-[5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 145252336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).