N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide

C25H21F7N4O5 — CID 165436699

IUPACN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(N)C(F)(F)F)C(F)(F)F)cc1OC
InChIInChI=1S/C25H21F7N4O5/c1-39-16-8-15(34-9-17(16)40-2)21(37)35-10-23(38,25(30,31)32)18-7-14-20(41-11-22(14,33)24(27,28)29)19(36-18)12-3-5-13(26)6-4-12/h3-9,38H,10-11,33H2,1-2H3,(H,35,37)/t22-,23-/m0/s1
InChIKeyDCTRGTLJUARRID-GOTSBHOMSA-N
MW590.45 g/mol
LogP3.59
Rot. Bonds7

About N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide

N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide (PubChem CID 165436699) has the molecular formula C25H21F7N4O5 and a molecular weight of 590.45 g/mol. Its IUPAC name is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide
PubChem CID165436699
Molecular FormulaC25H21F7N4O5
Molecular Weight590.45 g/mol
Exact Mass590.14
IUPAC NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(N)C(F)(F)F)C(F)(F)F)cc1OC
InChIInChI=1S/C25H21F7N4O5/c1-39-16-8-15(34-9-17(16)40-2)21(37)35-10-23(38,25(30,31)32)18-7-14-20(41-11-22(14,33)24(27,28)29)19(36-18)12-3-5-13(26)6-4-12/h3-9,38H,10-11,33H2,1-2H3,(H,35,37)/t22-,23-/m0/s1
InChIKeyDCTRGTLJUARRID-GOTSBHOMSA-N
XLogP3.59
TPSA128.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.45
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide?
The IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide (CID 165436699) is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide is COc1cnc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(N)C(F)(F)F)C(F)(F)F)cc1OC.
What is the InChIKey of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide?
The InChIKey is DCTRGTLJUARRID-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H21F7N4O5/c1-39-16-8-15(34-9-17(16)40-2)21(37)35-10-23(38,25(30,31)32)18-7-14-20(41-11-22(14,33)24(27,28)29)19(36-18)12-3-5-13(26)6-4-12/h3-9,38H,10-11,33H2,1-2H3,(H,35,37)/t22-,23-/m0/s1.
What are the key properties of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide?
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide has a molecular weight of 590.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dimethoxypyridine-2-carboxamide is sourced from PubChem (CID 165436699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).