2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H14N6O — CID 171353785

IUPAC2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccnc(Nc2nn3c(C)cc(C)nc3c2C#N)c1
InChIInChI=1S/C15H14N6O/c1-9-6-10(2)21-15(18-9)12(8-16)14(20-21)19-13-7-11(22-3)4-5-17-13/h4-7H,1-3H3,(H,17,19,20)
InChIKeyMWJHAGJIVBGATF-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.37
Rot. Bonds3

About 2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 171353785) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID171353785
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccnc(Nc2nn3c(C)cc(C)nc3c2C#N)c1
InChIInChI=1S/C15H14N6O/c1-9-6-10(2)21-15(18-9)12(8-16)14(20-21)19-13-7-11(22-3)4-5-17-13/h4-7H,1-3H3,(H,17,19,20)
InChIKeyMWJHAGJIVBGATF-UHFFFAOYSA-N
XLogP2.37
TPSA88.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 171353785) is 2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1ccnc(Nc2nn3c(C)cc(C)nc3c2C#N)c1.
What is the InChIKey of 2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is MWJHAGJIVBGATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-9-6-10(2)21-15(18-9)12(8-16)14(20-21)19-13-7-11(22-3)4-5-17-13/h4-7H,1-3H3,(H,17,19,20).
What are the key properties of 2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 294.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-pyridinyl)amino]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 171353785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).