2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C21H16N6S — CID 24528700

IUPAC2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(c1nc(-c3cccnc3)nc3ccccc13)C2
InChIInChI=1S/C21H16N6S/c22-10-16-14-7-9-27(12-18(14)28-19(16)23)21-15-5-1-2-6-17(15)25-20(26-21)13-4-3-8-24-11-13/h1-6,8,11H,7,9,12,23H2
InChIKeyCXPHYDVQVLVTTN-UHFFFAOYSA-N
MW384.47 g/mol
LogP3.77
Rot. Bonds2

About 2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 24528700) has the molecular formula C21H16N6S and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID24528700
Molecular FormulaC21H16N6S
Molecular Weight384.47 g/mol
Exact Mass384.12
IUPAC Name2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(c1nc(-c3cccnc3)nc3ccccc13)C2
InChIInChI=1S/C21H16N6S/c22-10-16-14-7-9-27(12-18(14)28-19(16)23)21-15-5-1-2-6-17(15)25-20(26-21)13-4-3-8-24-11-13/h1-6,8,11H,7,9,12,23H2
InChIKeyCXPHYDVQVLVTTN-UHFFFAOYSA-N
XLogP3.77
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 24528700) is 2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N)sc2c1CCN(c1nc(-c3cccnc3)nc3ccccc13)C2.
What is the InChIKey of 2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is CXPHYDVQVLVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6S/c22-10-16-14-7-9-27(12-18(14)28-19(16)23)21-15-5-1-2-6-17(15)25-20(26-21)13-4-3-8-24-11-13/h1-6,8,11H,7,9,12,23H2.
What are the key properties of 2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 384.47 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-pyridin-3-ylquinazolin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 24528700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).