6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C18H14N6 — CID 134201704

IUPAC6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cccc(-c2n[nH]c(C)c2-c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C18H14N6/c1-11-4-3-5-15(21-11)18-17(12(2)22-23-18)13-6-7-16-20-9-14(8-19)24(16)10-13/h3-7,9-10H,1-2H3,(H,22,23)
InChIKeyRWXTYDLDYRFHBL-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.27
Rot. Bonds2

About 6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 134201704) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID134201704
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cccc(-c2n[nH]c(C)c2-c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C18H14N6/c1-11-4-3-5-15(21-11)18-17(12(2)22-23-18)13-6-7-16-20-9-14(8-19)24(16)10-13/h3-7,9-10H,1-2H3,(H,22,23)
InChIKeyRWXTYDLDYRFHBL-UHFFFAOYSA-N
XLogP3.27
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 134201704) is 6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is Cc1cccc(-c2n[nH]c(C)c2-c2ccc3ncc(C#N)n3c2)n1.
What is the InChIKey of 6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is RWXTYDLDYRFHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c1-11-4-3-5-15(21-11)18-17(12(2)22-23-18)13-6-7-16-20-9-14(8-19)24(16)10-13/h3-7,9-10H,1-2H3,(H,22,23).
What are the key properties of 6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 314.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134201704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).