[3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol

C35H29N5O2 — CID 135685737

IUPAC[3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol
SMILESCOc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cncc(-c5cccc(CO)c5)c4C)ccc32)cc1
InChIInChI=1S/C35H29N5O2/c1-22-29(25-7-5-6-24(16-25)21-41)18-36-19-30(22)26-12-15-33-28(17-26)34(35-37-31-8-3-4-9-32(31)38-35)39-40(33)20-23-10-13-27(42-2)14-11-23/h3-19,41H,20-21H2,1-2H3,(H,37,38)
InChIKeyXIPWYYAUCOHAOF-UHFFFAOYSA-N
MW551.65 g/mol
LogP7.17
Rot. Bonds7

About [3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol

[3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol (PubChem CID 135685737) has the molecular formula C35H29N5O2 and a molecular weight of 551.65 g/mol. Its IUPAC name is [3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol
PubChem CID135685737
Molecular FormulaC35H29N5O2
Molecular Weight551.65 g/mol
Exact Mass551.23
IUPAC Name[3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol
SMILESCOc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cncc(-c5cccc(CO)c5)c4C)ccc32)cc1
InChIInChI=1S/C35H29N5O2/c1-22-29(25-7-5-6-24(16-25)21-41)18-36-19-30(22)26-12-15-33-28(17-26)34(35-37-31-8-3-4-9-32(31)38-35)39-40(33)20-23-10-13-27(42-2)14-11-23/h3-19,41H,20-21H2,1-2H3,(H,37,38)
InChIKeyXIPWYYAUCOHAOF-UHFFFAOYSA-N
XLogP7.17
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol?
The IUPAC name of [3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol (CID 135685737) is [3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol is COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cncc(-c5cccc(CO)c5)c4C)ccc32)cc1.
What is the InChIKey of [3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol?
The InChIKey is XIPWYYAUCOHAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N5O2/c1-22-29(25-7-5-6-24(16-25)21-41)18-36-19-30(22)26-12-15-33-28(17-26)34(35-37-31-8-3-4-9-32(31)38-35)39-40(33)20-23-10-13-27(42-2)14-11-23/h3-19,41H,20-21H2,1-2H3,(H,37,38).
What are the key properties of [3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol?
[3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol has a molecular weight of 551.65 g/mol, XLogP of 7.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 135685737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).