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

C33H30F4N4O4 — CID 167023693

IUPACN-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2ccnc2)C(F)(F)F)C2CC2)ccc1OC1CC1
InChIInChI=1S/C33H30F4N4O4/c1-43-28-14-21(6-11-27(28)45-23-9-10-23)31(42)39-16-24(19-2-3-19)26-15-25-30(29(40-26)20-4-7-22(34)8-5-20)44-17-32(25,33(35,36)37)41-13-12-38-18-41/h4-8,11-15,18-19,23-24H,2-3,9-10,16-17H2,1H3,(H,39,42)/t24?,32-/m0/s1
InChIKeyKSURYBILMWXXAU-TWAVRPEISA-N
MW622.62 g/mol
LogP6.26
Rot. Bonds10

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

N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide (PubChem CID 167023693) has the molecular formula C33H30F4N4O4 and a molecular weight of 622.62 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide
PubChem CID167023693
Molecular FormulaC33H30F4N4O4
Molecular Weight622.62 g/mol
Exact Mass622.22
IUPAC NameN-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2ccnc2)C(F)(F)F)C2CC2)ccc1OC1CC1
InChIInChI=1S/C33H30F4N4O4/c1-43-28-14-21(6-11-27(28)45-23-9-10-23)31(42)39-16-24(19-2-3-19)26-15-25-30(29(40-26)20-4-7-22(34)8-5-20)44-17-32(25,33(35,36)37)41-13-12-38-18-41/h4-8,11-15,18-19,23-24H,2-3,9-10,16-17H2,1H3,(H,39,42)/t24?,32-/m0/s1
InChIKeyKSURYBILMWXXAU-TWAVRPEISA-N
XLogP6.26
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.62
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide?
The IUPAC name of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide (CID 167023693) is N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide?
The canonical SMILES for N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide is COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2ccnc2)C(F)(F)F)C2CC2)ccc1OC1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide?
The InChIKey is KSURYBILMWXXAU-TWAVRPEISA-N. The full InChI is InChI=1S/C33H30F4N4O4/c1-43-28-14-21(6-11-27(28)45-23-9-10-23)31(42)39-16-24(19-2-3-19)26-15-25-30(29(40-26)20-4-7-22(34)8-5-20)44-17-32(25,33(35,36)37)41-13-12-38-18-41/h4-8,11-15,18-19,23-24H,2-3,9-10,16-17H2,1H3,(H,39,42)/t24?,32-/m0/s1.
What are the key properties of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide?
N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide has a molecular weight of 622.62 g/mol, XLogP of 6.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]ethyl]-4-cyclopropyloxy-3-methoxybenzamide is sourced from PubChem (CID 167023693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).