N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

C30H34F4N4O5 — CID 122502787

IUPACN-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCCNC1(C)CN(C)c2c1cc(C(O)(CNC(=O)c1ccc(OCCO)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H34F4N4O5/c1-5-36-28(2)17-38(3)26-21(28)15-24(37-25(26)18-6-9-20(31)10-7-18)29(41,30(32,33)34)16-35-27(40)19-8-11-22(43-13-12-39)23(14-19)42-4/h6-11,14-15,36,39,41H,5,12-13,16-17H2,1-4H3,(H,35,40)
InChIKeyKMXVBMVTZKUSTR-UHFFFAOYSA-N
MW606.62 g/mol
LogP3.72
Rot. Bonds11

About N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 122502787) has the molecular formula C30H34F4N4O5 and a molecular weight of 606.62 g/mol. Its IUPAC name is N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID122502787
Molecular FormulaC30H34F4N4O5
Molecular Weight606.62 g/mol
Exact Mass606.25
IUPAC NameN-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCCNC1(C)CN(C)c2c1cc(C(O)(CNC(=O)c1ccc(OCCO)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H34F4N4O5/c1-5-36-28(2)17-38(3)26-21(28)15-24(37-25(26)18-6-9-20(31)10-7-18)29(41,30(32,33)34)16-35-27(40)19-8-11-22(43-13-12-39)23(14-19)42-4/h6-11,14-15,36,39,41H,5,12-13,16-17H2,1-4H3,(H,35,40)
InChIKeyKMXVBMVTZKUSTR-UHFFFAOYSA-N
XLogP3.72
TPSA116.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.62
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-[2-(2,2-difluoroethoxy)phenyl]-6-(2-hydroxypropan-2-yl)-2-[4-(2-hydroxypropan-2-yl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405405
(3-Methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
CID 68153368
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 122502787) is N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is CCNC1(C)CN(C)c2c1cc(C(O)(CNC(=O)c1ccc(OCCO)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is KMXVBMVTZKUSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F4N4O5/c1-5-36-28(2)17-38(3)26-21(28)15-24(37-25(26)18-6-9-20(31)10-7-18)29(41,30(32,33)34)16-35-27(40)19-8-11-22(43-13-12-39)23(14-19)42-4/h6-11,14-15,36,39,41H,5,12-13,16-17H2,1-4H3,(H,35,40).
What are the key properties of N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 606.62 g/mol, XLogP of 3.72, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(ethylamino)-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 122502787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).