5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C21H18N6O — CID 11667828

IUPAC5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCOc1cccc(-c2nc3ccnn3c(NCCc3ccncc3)c2C#N)c1
InChIInChI=1S/C21H18N6O/c1-28-17-4-2-3-16(13-17)20-18(14-22)21(27-19(26-20)8-12-25-27)24-11-7-15-5-9-23-10-6-15/h2-6,8-10,12-13,24H,7,11H2,1H3
InChIKeyPRAOWHLMFZRUEH-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.33
Rot. Bonds6

About 5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 11667828) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID11667828
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCOc1cccc(-c2nc3ccnn3c(NCCc3ccncc3)c2C#N)c1
InChIInChI=1S/C21H18N6O/c1-28-17-4-2-3-16(13-17)20-18(14-22)21(27-19(26-20)8-12-25-27)24-11-7-15-5-9-23-10-6-15/h2-6,8-10,12-13,24H,7,11H2,1H3
InChIKeyPRAOWHLMFZRUEH-UHFFFAOYSA-N
XLogP3.33
TPSA88.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 73254074
2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522061
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
5-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70715488
6-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 124908703
7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen
CID 158886833
2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94282086
2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446362
5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82342890
3-amino-5-[2-(3-methoxyphenyl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 107855816

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 11667828) is 5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is COc1cccc(-c2nc3ccnn3c(NCCc3ccncc3)c2C#N)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is PRAOWHLMFZRUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-28-17-4-2-3-16(13-17)20-18(14-22)21(27-19(26-20)8-12-25-27)24-11-7-15-5-9-23-10-6-15/h2-6,8-10,12-13,24H,7,11H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 370.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-7-(2-pyridin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 11667828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).