2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C19H15ClN6S — CID 24528703

IUPAC2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCc1nn2c(nc(N3CCc4c(sc(N)c4C#N)C3)c3ccccc32)c1Cl
InChIInChI=1S/C19H15ClN6S/c1-10-16(20)19-23-18(12-4-2-3-5-14(12)26(19)24-10)25-7-6-11-13(8-21)17(22)27-15(11)9-25/h2-5H,6-7,9,22H2,1H3
InChIKeyINHPUWDBMCXLLX-UHFFFAOYSA-N
MW394.89 g/mol
LogP3.92
Rot. Bonds1

About 2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 24528703) has the molecular formula C19H15ClN6S and a molecular weight of 394.89 g/mol. Its IUPAC name is 2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID24528703
Molecular FormulaC19H15ClN6S
Molecular Weight394.89 g/mol
Exact Mass394.08
IUPAC Name2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCc1nn2c(nc(N3CCc4c(sc(N)c4C#N)C3)c3ccccc32)c1Cl
InChIInChI=1S/C19H15ClN6S/c1-10-16(20)19-23-18(12-4-2-3-5-14(12)26(19)24-10)25-7-6-11-13(8-21)17(22)27-15(11)9-25/h2-5H,6-7,9,22H2,1H3
InChIKeyINHPUWDBMCXLLX-UHFFFAOYSA-N
XLogP3.92
TPSA83.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.89
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 24528703) is 2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is Cc1nn2c(nc(N3CCc4c(sc(N)c4C#N)C3)c3ccccc32)c1Cl.
What is the InChIKey of 2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is INHPUWDBMCXLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6S/c1-10-16(20)19-23-18(12-4-2-3-5-14(12)26(19)24-10)25-7-6-11-13(8-21)17(22)27-15(11)9-25/h2-5H,6-7,9,22H2,1H3.
What are the key properties of 2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 394.89 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 24528703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).