N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C37H36FN7 — CID 145252863

About N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145252863) has the molecular formula C37H36FN7 and a molecular weight of 597.74 g/mol. Its IUPAC name is N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145252863
• Molecular Formula: C37H36FN7
• Molecular Weight: 597.74 g/mol
• Exact Mass: 597.30
• IUPAC Name: N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(CCCN7CCCC7)c6)cncc5[nH]4)c3c2)c1)C1CC1
• InChI: InChI=1S/C37H36FN7/c1-23(25-6-7-25)41-30-16-28(19-39-20-30)26-8-9-34-32(17-26)37(44-43-34)35-18-31-33(21-40-22-36(31)42-35)27-13-24(14-29(38)15-27)5-4-12-45-10-2-3-11-45/h8-9,13-22,25,41-42H,1-7,10-12H2,(H,43,44)
• InChIKey: MNYKAWVFJVPQHG-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 85.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.74
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 145252863) is N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(CCCN7CCCC7)c6)cncc5[nH]4)c3c2)c1)C1CC1.

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

The InChIKey is MNYKAWVFJVPQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36FN7/c1-23(25-6-7-25)41-30-16-28(19-39-20-30)26-8-9-34-32(17-26)37(44-43-34)35-18-31-33(21-40-22-36(31)42-35)27-13-24(14-29(38)15-27)5-4-12-45-10-2-3-11-45/h8-9,13-22,25,41-42H,1-7,10-12H2,(H,43,44).

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

N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 597.74 g/mol, XLogP of 8.34, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145252863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).