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

C23H19N5 — CID 118664991

IUPAC1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(C5(C#N)CCC5)n4)cc32)n1
InChIInChI=1S/C23H19N5/c1-16-5-2-8-22(26-16)28-20-13-17(9-10-18(20)14-25-28)19-6-3-7-21(27-19)23(15-24)11-4-12-23/h2-3,5-10,13-14H,4,11-12H2,1H3
InChIKeyBEPHFCFGXNMOAQ-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.74
Rot. Bonds3

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

1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile (PubChem CID 118664991) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile
PubChem CID118664991
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(C5(C#N)CCC5)n4)cc32)n1
InChIInChI=1S/C23H19N5/c1-16-5-2-8-22(26-16)28-20-13-17(9-10-18(20)14-25-28)19-6-3-7-21(27-19)23(15-24)11-4-12-23/h2-3,5-10,13-14H,4,11-12H2,1H3
InChIKeyBEPHFCFGXNMOAQ-UHFFFAOYSA-N
XLogP4.74
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile (CID 118664991) is 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile is Cc1cccc(-n2ncc3ccc(-c4cccc(C5(C#N)CCC5)n4)cc32)n1.
What is the InChIKey of 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile?
The InChIKey is BEPHFCFGXNMOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-16-5-2-8-22(26-16)28-20-13-17(9-10-18(20)14-25-28)19-6-3-7-21(27-19)23(15-24)11-4-12-23/h2-3,5-10,13-14H,4,11-12H2,1H3.
What are the key properties of 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile?
1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile has a molecular weight of 365.44 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 118664991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).