N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide

C29H29F4N3O5 — CID 122503056

About N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide (PubChem CID 122503056) has the molecular formula C29H29F4N3O5 and a molecular weight of 575.56 g/mol. Its IUPAC name is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide
• PubChem CID: 122503056
• Molecular Formula: C29H29F4N3O5
• Molecular Weight: 575.56 g/mol
• Exact Mass: 575.20
• IUPAC Name: N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide
• SMILES: CC1(N)COc2c1cc(C(O)(CNC(=O)c1ccc(CCO)c(OC3CC3)c1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C29H29F4N3O5/c1-27(34)15-40-25-21(27)13-23(36-24(25)17-4-6-19(30)7-5-17)28(39,29(31,32)33)14-35-26(38)18-3-2-16(10-11-37)22(12-18)41-20-8-9-20/h2-7,12-13,20,37,39H,8-11,14-15,34H2,1H3,(H,35,38)
• InChIKey: FZVQLVWMABZVNJ-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 126.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.56
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide?

The IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide (CID 122503056) is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide.

What is the SMILES notation for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide?

The canonical SMILES for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide is CC1(N)COc2c1cc(C(O)(CNC(=O)c1ccc(CCO)c(OC3CC3)c1)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide?

The InChIKey is FZVQLVWMABZVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F4N3O5/c1-27(34)15-40-25-21(27)13-23(36-24(25)17-4-6-19(30)7-5-17)28(39,29(31,32)33)14-35-26(38)18-3-2-16(10-11-37)22(12-18)41-20-8-9-20/h2-7,12-13,20,37,39H,8-11,14-15,34H2,1H3,(H,35,38).

What are the key properties of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide?

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide has a molecular weight of 575.56 g/mol, XLogP of 3.71, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-cyclopropyloxy-4-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 122503056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).