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

C27H21N5O — CID 135450002

IUPAC[3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol
SMILESCc1c(-c2cccc(CO)c2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C27H21N5O/c1-16-21(18-6-4-5-17(11-18)15-33)13-28-14-22(16)19-9-10-23-20(12-19)26(32-31-23)27-29-24-7-2-3-8-25(24)30-27/h2-14,33H,15H2,1H3,(H,29,30)(H,31,32)
InChIKeyFETOTRWZYXJFOT-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.64
Rot. Bonds4

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

[3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol (PubChem CID 135450002) has the molecular formula C27H21N5O and a molecular weight of 431.50 g/mol. Its IUPAC name is [3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol
PubChem CID135450002
Molecular FormulaC27H21N5O
Molecular Weight431.50 g/mol
Exact Mass431.17
IUPAC Name[3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol
SMILESCc1c(-c2cccc(CO)c2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C27H21N5O/c1-16-21(18-6-4-5-17(11-18)15-33)13-28-14-22(16)19-9-10-23-20(12-19)26(32-31-23)27-29-24-7-2-3-8-25(24)30-27/h2-14,33H,15H2,1H3,(H,29,30)(H,31,32)
InChIKeyFETOTRWZYXJFOT-UHFFFAOYSA-N
XLogP5.64
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol?
The IUPAC name of [3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol (CID 135450002) is [3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol is Cc1c(-c2cccc(CO)c2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of [3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol?
The InChIKey is FETOTRWZYXJFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O/c1-16-21(18-6-4-5-17(11-18)15-33)13-28-14-22(16)19-9-10-23-20(12-19)26(32-31-23)27-29-24-7-2-3-8-25(24)30-27/h2-14,33H,15H2,1H3,(H,29,30)(H,31,32).
What are the key properties of [3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol?
[3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol has a molecular weight of 431.50 g/mol, XLogP of 5.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 135450002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).