(6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol

C19H16N4O — CID 71005718

IUPAC(6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol
SMILESCc1cccc(C(O)c2cccc(-n3ncc4ccccc43)n2)n1
InChIInChI=1S/C19H16N4O/c1-13-6-4-8-15(21-13)19(24)16-9-5-11-18(22-16)23-17-10-3-2-7-14(17)12-20-23/h2-12,19,24H,1H3
InChIKeyICJBBXHOYUMBJJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.21
Rot. Bonds3

About (6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol

(6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol (PubChem CID 71005718) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is (6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol
PubChem CID71005718
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name(6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol
SMILESCc1cccc(C(O)c2cccc(-n3ncc4ccccc43)n2)n1
InChIInChI=1S/C19H16N4O/c1-13-6-4-8-15(21-13)19(24)16-9-5-11-18(22-16)23-17-10-3-2-7-14(17)12-20-23/h2-12,19,24H,1H3
InChIKeyICJBBXHOYUMBJJ-UHFFFAOYSA-N
XLogP3.21
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol?
The IUPAC name of (6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol (CID 71005718) is (6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol.
What is the SMILES notation for (6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol?
The canonical SMILES for (6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol is Cc1cccc(C(O)c2cccc(-n3ncc4ccccc43)n2)n1.
What is the InChIKey of (6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol?
The InChIKey is ICJBBXHOYUMBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-6-4-8-15(21-13)19(24)16-9-5-11-18(22-16)23-17-10-3-2-7-14(17)12-20-23/h2-12,19,24H,1H3.
What are the key properties of (6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol?
(6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol has a molecular weight of 316.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 71005718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).