[3-(dimethylamino)-3-methylazetidin-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

C30H36FN7O2 — CID 137302010

IUPAC[3-(dimethylamino)-3-methylazetidin-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(C)(N(C)C)C3)C4)n[nH]c2c1
InChIInChI=1S/C30H36FN7O2/c1-6-17-11-26(39)21(31)12-20(17)18-8-9-19-22(10-18)34-35-27(19)28-32-23-13-25(37(7-2)14-24(23)33-28)29(40)38-15-30(3,16-38)36(4)5/h8-12,25,39H,6-7,13-16H2,1-5H3,(H,32,33)(H,34,35)
InChIKeyGPOGKSDOWYRIMA-UHFFFAOYSA-N
MW545.66 g/mol
LogP3.94
Rot. Bonds6

About [3-(dimethylamino)-3-methylazetidin-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)-3-methylazetidin-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 137302010) has the molecular formula C30H36FN7O2 and a molecular weight of 545.66 g/mol. Its IUPAC name is [3-(dimethylamino)-3-methylazetidin-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)-3-methylazetidin-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 CID137302010
Molecular FormulaC30H36FN7O2
Molecular Weight545.66 g/mol
Exact Mass545.29
IUPAC Name[3-(dimethylamino)-3-methylazetidin-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(C)(N(C)C)C3)C4)n[nH]c2c1
InChIInChI=1S/C30H36FN7O2/c1-6-17-11-26(39)21(31)12-20(17)18-8-9-19-22(10-18)34-35-27(19)28-32-23-13-25(37(7-2)14-24(23)33-28)29(40)38-15-30(3,16-38)36(4)5/h8-12,25,39H,6-7,13-16H2,1-5H3,(H,32,33)(H,34,35)
InChIKeyGPOGKSDOWYRIMA-UHFFFAOYSA-N
XLogP3.94
TPSA104.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.66
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-methylazetidin-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)-3-methylazetidin-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 137302010) is [3-(dimethylamino)-3-methylazetidin-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)-3-methylazetidin-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)-3-methylazetidin-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(C)(N(C)C)C3)C4)n[nH]c2c1.
What is the InChIKey of [3-(dimethylamino)-3-methylazetidin-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 GPOGKSDOWYRIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN7O2/c1-6-17-11-26(39)21(31)12-20(17)18-8-9-19-22(10-18)34-35-27(19)28-32-23-13-25(37(7-2)14-24(23)33-28)29(40)38-15-30(3,16-38)36(4)5/h8-12,25,39H,6-7,13-16H2,1-5H3,(H,32,33)(H,34,35).
What are the key properties of [3-(dimethylamino)-3-methylazetidin-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)-3-methylazetidin-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 545.66 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-methylazetidin-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 137302010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).