N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide

C32H29F4N5O5 — CID 167023652

IUPACN-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2cnnc2)C(F)(F)F)C2CC2)ccc1OC1CC1
InChIInChI=1S/C32H29F4N5O5/c1-44-25-12-19(4-11-24(25)46-22-9-10-22)29(42)37-14-30(43,20-5-6-20)26-13-23-28(27(40-26)18-2-7-21(33)8-3-18)45-15-31(23,32(34,35)36)41-16-38-39-17-41/h2-4,7-8,11-13,16-17,20,22,43H,5-6,9-10,14-15H2,1H3,(H,37,42)/t30?,31-/m0/s1
InChIKeyWRYQQWQVBKWZDU-FLDQDSGZSA-N
MW639.61 g/mol
LogP4.75
Rot. Bonds10

About N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide

N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide (PubChem CID 167023652) has the molecular formula C32H29F4N5O5 and a molecular weight of 639.61 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
PubChem CID167023652
Molecular FormulaC32H29F4N5O5
Molecular Weight639.61 g/mol
Exact Mass639.21
IUPAC NameN-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2cnnc2)C(F)(F)F)C2CC2)ccc1OC1CC1
InChIInChI=1S/C32H29F4N5O5/c1-44-25-12-19(4-11-24(25)46-22-9-10-22)29(42)37-14-30(43,20-5-6-20)26-13-23-28(27(40-26)18-2-7-21(33)8-3-18)45-15-31(23,32(34,35)36)41-16-38-39-17-41/h2-4,7-8,11-13,16-17,20,22,43H,5-6,9-10,14-15H2,1H3,(H,37,42)/t30?,31-/m0/s1
InChIKeyWRYQQWQVBKWZDU-FLDQDSGZSA-N
XLogP4.75
TPSA120.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.61
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide?
The IUPAC name of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide (CID 167023652) is N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide?
The canonical SMILES for N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide is COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2cnnc2)C(F)(F)F)C2CC2)ccc1OC1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide?
The InChIKey is WRYQQWQVBKWZDU-FLDQDSGZSA-N. The full InChI is InChI=1S/C32H29F4N5O5/c1-44-25-12-19(4-11-24(25)46-22-9-10-22)29(42)37-14-30(43,20-5-6-20)26-13-23-28(27(40-26)18-2-7-21(33)8-3-18)45-15-31(23,32(34,35)36)41-16-38-39-17-41/h2-4,7-8,11-13,16-17,20,22,43H,5-6,9-10,14-15H2,1H3,(H,37,42)/t30?,31-/m0/s1.
What are the key properties of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide?
N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide has a molecular weight of 639.61 g/mol, XLogP of 4.75, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide is sourced from PubChem (CID 167023652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).