6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine

C21H16N6OS — CID 71273671

IUPAC6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(-c4cccs4)[nH]n3)c2c1
InChIInChI=1S/C21H16N6OS/c1-28-14-6-7-16-15(10-14)21(25-20(23-16)13-4-2-8-22-12-13)24-19-11-17(26-27-19)18-5-3-9-29-18/h2-12H,1H3,(H2,23,24,25,26,27)
InChIKeyYGZFXGMBCONJOI-UHFFFAOYSA-N
MW400.47 g/mol
LogP4.90
Rot. Bonds5

About 6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine

6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 71273671) has the molecular formula C21H16N6OS and a molecular weight of 400.47 g/mol. Its IUPAC name is 6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID71273671
Molecular FormulaC21H16N6OS
Molecular Weight400.47 g/mol
Exact Mass400.11
IUPAC Name6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(-c4cccs4)[nH]n3)c2c1
InChIInChI=1S/C21H16N6OS/c1-28-14-6-7-16-15(10-14)21(25-20(23-16)13-4-2-8-22-12-13)24-19-11-17(26-27-19)18-5-3-9-29-18/h2-12H,1H3,(H2,23,24,25,26,27)
InChIKeyYGZFXGMBCONJOI-UHFFFAOYSA-N
XLogP4.90
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 71273671) is 6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3cc(-c4cccs4)[nH]n3)c2c1.
What is the InChIKey of 6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is YGZFXGMBCONJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6OS/c1-28-14-6-7-16-15(10-14)21(25-20(23-16)13-4-2-8-22-12-13)24-19-11-17(26-27-19)18-5-3-9-29-18/h2-12H,1H3,(H2,23,24,25,26,27).
What are the key properties of 6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine?
6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 400.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 71273671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).