2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

C20H20N6O — CID 3583243

IUPAC2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1nn(C)cc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2
InChIInChI=1S/C20H20N6O/c1-12-15(11-25(2)24-12)18-14(9-21)20(22)26(13-5-4-8-23-10-13)16-6-3-7-17(27)19(16)18/h4-5,8,10-11,18H,3,6-7,22H2,1-2H3
InChIKeyRGNCTTCHKSTFFF-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.43
Rot. Bonds2

About 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3583243) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3583243
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1nn(C)cc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2
InChIInChI=1S/C20H20N6O/c1-12-15(11-25(2)24-12)18-14(9-21)20(22)26(13-5-4-8-23-10-13)16-6-3-7-17(27)19(16)18/h4-5,8,10-11,18H,3,6-7,22H2,1-2H3
InChIKeyRGNCTTCHKSTFFF-UHFFFAOYSA-N
XLogP2.43
TPSA100.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3583243) is 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1nn(C)cc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2.
What is the InChIKey of 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is RGNCTTCHKSTFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-12-15(11-25(2)24-12)18-14(9-21)20(22)26(13-5-4-8-23-10-13)16-6-3-7-17(27)19(16)18/h4-5,8,10-11,18H,3,6-7,22H2,1-2H3.
What are the key properties of 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 360.42 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3583243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).