N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide

C23H29N5O2S — CID 136605977

IUPACN-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C23H29N5O2S/c1-3-8-15(9-4-2)21(29)25-20-14-18(19-12-7-13-31-19)27-28(20)23-24-17-11-6-5-10-16(17)22(30)26-23/h7,12-15H,3-6,8-11H2,1-2H3,(H,25,29)(H,24,26,30)
InChIKeyDFPHVEXTNSCYEK-UHFFFAOYSA-N
MW439.59 g/mol
LogP4.72
Rot. Bonds8

About N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide

N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide (PubChem CID 136605977) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide
PubChem CID136605977
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC NameN-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C23H29N5O2S/c1-3-8-15(9-4-2)21(29)25-20-14-18(19-12-7-13-31-19)27-28(20)23-24-17-11-6-5-10-16(17)22(30)26-23/h7,12-15H,3-6,8-11H2,1-2H3,(H,25,29)(H,24,26,30)
InChIKeyDFPHVEXTNSCYEK-UHFFFAOYSA-N
XLogP4.72
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605997
4-chloro-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 136605991
N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]naphthalene-2-carboxamide
CID 136606045
3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136606010
N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-phenylbenzamide
CID 136606047
2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 136605906
N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide
CID 136605692
5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
CID 136605935
2,4-dichloro-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136606027
N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)acetamide
CID 136606111
2-chloro-5-nitro-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136606038
N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide
CID 135892239

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide?
The IUPAC name of N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide (CID 136605977) is N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide.
What is the SMILES notation for N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide?
The canonical SMILES for N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide?
The InChIKey is DFPHVEXTNSCYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-3-8-15(9-4-2)21(29)25-20-14-18(19-12-7-13-31-19)27-28(20)23-24-17-11-6-5-10-16(17)22(30)26-23/h7,12-15H,3-6,8-11H2,1-2H3,(H,25,29)(H,24,26,30).
What are the key properties of N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide?
N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide has a molecular weight of 439.59 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide is sourced from PubChem (CID 136605977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).