5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile

C22H22N6O — CID 137371520

IUPAC5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3-c3cnn(CC(O)C(C)C)c3)cc2n1
InChIInChI=1S/C22H22N6O/c1-14(2)20(29)13-28-12-17(10-24-28)19-5-4-18(9-23)26-22(19)16-6-7-27-11-15(3)25-21(27)8-16/h4-8,10-12,14,20,29H,13H2,1-3H3
InChIKeyPFWFJJYJQRTEHF-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.46
Rot. Bonds5

About 5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile

5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile (PubChem CID 137371520) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
PubChem CID137371520
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3-c3cnn(CC(O)C(C)C)c3)cc2n1
InChIInChI=1S/C22H22N6O/c1-14(2)20(29)13-28-12-17(10-24-28)19-5-4-18(9-23)26-22(19)16-6-7-27-11-15(3)25-21(27)8-16/h4-8,10-12,14,20,29H,13H2,1-3H3
InChIKeyPFWFJJYJQRTEHF-UHFFFAOYSA-N
XLogP3.46
TPSA92.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137374130
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[1-(4,4,4-trifluoro-2,2-dimethylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373960
6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 147743300
2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137374017
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[2-(3,3,3-trifluoropropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137373610
5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373899
6-imidazo[1,2-a]pyridin-7-yl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374015
2-methyl-7-[3-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137374147
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile
CID 137374338
5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 174093919
6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371521

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile (CID 137371520) is 5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile is Cc1cn2ccc(-c3nc(C#N)ccc3-c3cnn(CC(O)C(C)C)c3)cc2n1.
What is the InChIKey of 5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The InChIKey is PFWFJJYJQRTEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14(2)20(29)13-28-12-17(10-24-28)19-5-4-18(9-23)26-22(19)16-6-7-27-11-15(3)25-21(27)8-16/h4-8,10-12,14,20,29H,13H2,1-3H3.
What are the key properties of 5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile has a molecular weight of 386.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 137371520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).