N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide

C28H29F4N3O6 — CID 122503138

IUPACN-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)cc3c2OC(C)(N)C3)C(F)(F)F)ccc1OC[C@@H](C)O
InChIInChI=1S/C28H29F4N3O6/c1-15(36)13-40-21-9-6-17(11-22(21)39-3)25(37)34-14-27(38,28(30,31)32)24-23-18(12-26(2,33)41-23)10-20(35-24)16-4-7-19(29)8-5-16/h4-11,15,36,38H,12-14,33H2,1-3H3,(H,34,37)/t15-,26?,27?/m1/s1
InChIKeyIRCULBWEGVDHBZ-GZAKMTIJSA-N
MW579.55 g/mol
LogP3.45
Rot. Bonds9

About N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide

N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide (PubChem CID 122503138) has the molecular formula C28H29F4N3O6 and a molecular weight of 579.55 g/mol. Its IUPAC name is N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
PubChem CID122503138
Molecular FormulaC28H29F4N3O6
Molecular Weight579.55 g/mol
Exact Mass579.20
IUPAC NameN-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)cc3c2OC(C)(N)C3)C(F)(F)F)ccc1OC[C@@H](C)O
InChIInChI=1S/C28H29F4N3O6/c1-15(36)13-40-21-9-6-17(11-22(21)39-3)25(37)34-14-27(38,28(30,31)32)24-23-18(12-26(2,33)41-23)10-20(35-24)16-4-7-19(29)8-5-16/h4-11,15,36,38H,12-14,33H2,1-3H3,(H,34,37)/t15-,26?,27?/m1/s1
InChIKeyIRCULBWEGVDHBZ-GZAKMTIJSA-N
XLogP3.45
TPSA136.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.55
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide with MolForge

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Related Compounds

N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 122502998
US11072585, Example 91
CID 122536439
[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-4-phenylmethoxyphenyl]-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
CID 132253037
[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-4-hydroxyphenyl]-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 132253066
US11420976, Example 14
CID 156809848
US11420976, Example 21
CID 156809861
US11420976, Example 15
CID 156809873
US11420976, Example 3
CID 156809883
US11420976, Example 27
CID 156809893
US11420976, Example 1
CID 156809900
US11420976, Example 24
CID 156809936
US11420976, Example 9
CID 158470136

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide?
The IUPAC name of N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide (CID 122503138) is N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide?
The canonical SMILES for N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide is COc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)cc3c2OC(C)(N)C3)C(F)(F)F)ccc1OC[C@@H](C)O.
What is the InChIKey of N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide?
The InChIKey is IRCULBWEGVDHBZ-GZAKMTIJSA-N. The full InChI is InChI=1S/C28H29F4N3O6/c1-15(36)13-40-21-9-6-17(11-22(21)39-3)25(37)34-14-27(38,28(30,31)32)24-23-18(12-26(2,33)41-23)10-20(35-24)16-4-7-19(29)8-5-16/h4-11,15,36,38H,12-14,33H2,1-3H3,(H,34,37)/t15-,26?,27?/m1/s1.
What are the key properties of N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide?
N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide has a molecular weight of 579.55 g/mol, XLogP of 3.45, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-amino-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide is sourced from PubChem (CID 122503138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).