[3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone

C29H34FN7O2 — CID 137302016

IUPAC[3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(CC)C(C(=O)N3CC(N(C)C)C3)C4)n[nH]c2c1
InChIInChI=1S/C29H34FN7O2/c1-5-16-10-26(38)21(30)11-20(16)17-7-8-19-22(9-17)33-34-27(19)28-31-23-12-25(36(6-2)15-24(23)32-28)29(39)37-13-18(14-37)35(3)4/h7-11,18,25,38H,5-6,12-15H2,1-4H3,(H,31,32)(H,33,34)
InChIKeyPJTVQALTARBQFE-UHFFFAOYSA-N
MW531.64 g/mol
LogP3.55
Rot. Bonds6

About [3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone

[3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone (PubChem CID 137302016) has the molecular formula C29H34FN7O2 and a molecular weight of 531.64 g/mol. Its IUPAC name is [3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
PubChem CID137302016
Molecular FormulaC29H34FN7O2
Molecular Weight531.64 g/mol
Exact Mass531.28
IUPAC Name[3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(CC)C(C(=O)N3CC(N(C)C)C3)C4)n[nH]c2c1
InChIInChI=1S/C29H34FN7O2/c1-5-16-10-26(38)21(30)11-20(16)17-7-8-19-22(9-17)33-34-27(19)28-31-23-12-25(36(6-2)15-24(23)32-28)29(39)37-13-18(14-37)35(3)4/h7-11,18,25,38H,5-6,12-15H2,1-4H3,(H,31,32)(H,33,34)
InChIKeyPJTVQALTARBQFE-UHFFFAOYSA-N
XLogP3.55
TPSA104.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.64
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?
The IUPAC name of [3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone (CID 137302016) is [3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?
The canonical SMILES for [3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(CC)C(C(=O)N3CC(N(C)C)C3)C4)n[nH]c2c1.
What is the InChIKey of [3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?
The InChIKey is PJTVQALTARBQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7O2/c1-5-16-10-26(38)21(30)11-20(16)17-7-8-19-22(9-17)33-34-27(19)28-31-23-12-25(36(6-2)15-24(23)32-28)29(39)37-13-18(14-37)35(3)4/h7-11,18,25,38H,5-6,12-15H2,1-4H3,(H,31,32)(H,33,34).
What are the key properties of [3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?
[3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone has a molecular weight of 531.64 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)azetidin-1-yl]-[5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone is sourced from PubChem (CID 137302016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).