2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile

C20H15N5 — CID 118664656

IUPAC2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(CC#N)n4)cc32)n1
InChIInChI=1S/C20H15N5/c1-14-4-2-7-20(23-14)25-19-12-15(8-9-16(19)13-22-25)18-6-3-5-17(24-18)10-11-21/h2-9,12-13H,10H2,1H3
InChIKeyNWQZWVRGOGYJNQ-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.86
Rot. Bonds3

About 2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile

2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile (PubChem CID 118664656) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile
PubChem CID118664656
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(CC#N)n4)cc32)n1
InChIInChI=1S/C20H15N5/c1-14-4-2-7-20(23-14)25-19-12-15(8-9-16(19)13-22-25)18-6-3-5-17(24-18)10-11-21/h2-9,12-13H,10H2,1H3
InChIKeyNWQZWVRGOGYJNQ-UHFFFAOYSA-N
XLogP3.86
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile (CID 118664656) is 2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile is Cc1cccc(-n2ncc3ccc(-c4cccc(CC#N)n4)cc32)n1.
What is the InChIKey of 2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile?
The InChIKey is NWQZWVRGOGYJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-14-4-2-7-20(23-14)25-19-12-15(8-9-16(19)13-22-25)18-6-3-5-17(24-18)10-11-21/h2-9,12-13H,10H2,1H3.
What are the key properties of 2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile?
2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile has a molecular weight of 325.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118664656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).