2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine

C30H29F3N4O2 — CID 169240906

About 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine

2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine (PubChem CID 169240906) has the molecular formula C30H29F3N4O2 and a molecular weight of 534.58 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine
• PubChem CID: 169240906
• Molecular Formula: C30H29F3N4O2
• Molecular Weight: 534.58 g/mol
• Exact Mass: 534.22
• IUPAC Name: 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine
• SMILES: C=C(NCC(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2C)C1CC1)c1cc(OC)c2nn(C(F)F)cc2c1
• InChI: InChI=1S/C30H29F3N4O2/c1-16-15-39-29-23(16)12-25(35-28(29)19-6-8-22(31)9-7-19)24(18-4-5-18)13-34-17(2)20-10-21-14-37(30(32)33)36-27(21)26(11-20)38-3/h6-12,14,16,18,24,30,34H,2,4-5,13,15H2,1,3H3
• InChIKey: QHDIAAFYUXXIAR-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 61.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.58
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine?

The IUPAC name of 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine (CID 169240906) is 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine.

What is the SMILES notation for 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine?

The canonical SMILES for 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine is C=C(NCC(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2C)C1CC1)c1cc(OC)c2nn(C(F)F)cc2c1.

What is the InChIKey of 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine?

The InChIKey is QHDIAAFYUXXIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N4O2/c1-16-15-39-29-23(16)12-25(35-28(29)19-6-8-22(31)9-7-19)24(18-4-5-18)13-34-17(2)20-10-21-14-37(30(32)33)36-27(21)26(11-20)38-3/h6-12,14,16,18,24,30,34H,2,4-5,13,15H2,1,3H3.

What are the key properties of 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine?

2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine has a molecular weight of 534.58 g/mol, XLogP of 6.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine is sourced from PubChem (CID 169240906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).