1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one

C24H25N5O2 — CID 164905145

IUPAC1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2nc(-c3n[nH]c4cc(-c5ccc(O)cc5CC)ccc34)[nH]c2C1
InChIInChI=1S/C24H25N5O2/c1-3-14-11-16(30)6-8-17(14)15-5-7-18-20(12-15)27-28-23(18)24-25-19-9-10-29(22(31)4-2)13-21(19)26-24/h5-8,11-12,30H,3-4,9-10,13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyFRDYFMMKVFTDBK-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.18
Rot. Bonds4

About 1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one

1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one (PubChem CID 164905145) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
PubChem CID164905145
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2nc(-c3n[nH]c4cc(-c5ccc(O)cc5CC)ccc34)[nH]c2C1
InChIInChI=1S/C24H25N5O2/c1-3-14-11-16(30)6-8-17(14)15-5-7-18-20(12-15)27-28-23(18)24-25-19-9-10-29(22(31)4-2)13-21(19)26-24/h5-8,11-12,30H,3-4,9-10,13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyFRDYFMMKVFTDBK-UHFFFAOYSA-N
XLogP4.18
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one (CID 164905145) is 1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one is CCC(=O)N1CCc2nc(-c3n[nH]c4cc(-c5ccc(O)cc5CC)ccc34)[nH]c2C1.
What is the InChIKey of 1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The InChIKey is FRDYFMMKVFTDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-14-11-16(30)6-8-17(14)15-5-7-18-20(12-15)27-28-23(18)24-25-19-9-10-29(22(31)4-2)13-21(19)26-24/h5-8,11-12,30H,3-4,9-10,13H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one has a molecular weight of 415.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 164905145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).