2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile

C18H12N6 — CID 118664652

IUPAC2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile
SMILESCc1cccc(-n2ncc3ccc(-c4nccc(C#N)n4)cc32)n1
InChIInChI=1S/C18H12N6/c1-12-3-2-4-17(22-12)24-16-9-13(5-6-14(16)11-21-24)18-20-8-7-15(10-19)23-18/h2-9,11H,1H3
InChIKeyQFPQTBHSNTWVON-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.06
Rot. Bonds2

About 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile

2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile (PubChem CID 118664652) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile
PubChem CID118664652
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile
SMILESCc1cccc(-n2ncc3ccc(-c4nccc(C#N)n4)cc32)n1
InChIInChI=1S/C18H12N6/c1-12-3-2-4-17(22-12)24-16-9-13(5-6-14(16)11-21-24)18-20-8-7-15(10-19)23-18/h2-9,11H,1H3
InChIKeyQFPQTBHSNTWVON-UHFFFAOYSA-N
XLogP3.06
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile (CID 118664652) is 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile is Cc1cccc(-n2ncc3ccc(-c4nccc(C#N)n4)cc32)n1.
What is the InChIKey of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile?
The InChIKey is QFPQTBHSNTWVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-12-3-2-4-17(22-12)24-16-9-13(5-6-14(16)11-21-24)18-20-8-7-15(10-19)23-18/h2-9,11H,1H3.
What are the key properties of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile?
2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile has a molecular weight of 312.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 118664652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).