N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide

C24H20N6O2S — CID 169231798

IUPACN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)c1cnc(C)s1
InChIInChI=1S/C24H20N6O2S/c1-14-25-11-21(33-14)24(31)28-19-9-16-18(10-20(19)32-3)26-13-27-23(16)17-12-30(2)29-22(17)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,28,31)
InChIKeyQAJSLSFVAGOIQI-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.72
Rot. Bonds5

About N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide

N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 169231798) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID169231798
Molecular FormulaC24H20N6O2S
Molecular Weight456.53 g/mol
Exact Mass456.14
IUPAC NameN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)c1cnc(C)s1
InChIInChI=1S/C24H20N6O2S/c1-14-25-11-21(33-14)24(31)28-19-9-16-18(10-20(19)32-3)26-13-27-23(16)17-12-30(2)29-22(17)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,28,31)
InChIKeyQAJSLSFVAGOIQI-UHFFFAOYSA-N
XLogP4.72
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide (CID 169231798) is N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)c1cnc(C)s1.
What is the InChIKey of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QAJSLSFVAGOIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c1-14-25-11-21(33-14)24(31)28-19-9-16-18(10-20(19)32-3)26-13-27-23(16)17-12-30(2)29-22(17)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,28,31).
What are the key properties of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 169231798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).