5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide

C19H14BrN5O3S — CID 136605935

IUPAC5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccc(Br)o1
InChIInChI=1S/C19H14BrN5O3S/c20-15-7-6-13(28-15)18(27)22-16-9-12(14-5-2-8-29-14)24-25(16)19-21-11-4-1-3-10(11)17(26)23-19/h2,5-9H,1,3-4H2,(H,22,27)(H,21,23,26)
InChIKeyYPPQGCMYJWXPFA-UHFFFAOYSA-N
MW472.32 g/mol
LogP3.78
Rot. Bonds4

About 5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide

5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide (PubChem CID 136605935) has the molecular formula C19H14BrN5O3S and a molecular weight of 472.32 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
PubChem CID136605935
Molecular FormulaC19H14BrN5O3S
Molecular Weight472.32 g/mol
Exact Mass471.00
IUPAC Name5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccc(Br)o1
InChIInChI=1S/C19H14BrN5O3S/c20-15-7-6-13(28-15)18(27)22-16-9-12(14-5-2-8-29-14)24-25(16)19-21-11-4-1-3-10(11)17(26)23-19/h2,5-9H,1,3-4H2,(H,22,27)(H,21,23,26)
InChIKeyYPPQGCMYJWXPFA-UHFFFAOYSA-N
XLogP3.78
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]naphthalene-2-carboxamide
CID 136606045
N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-phenylbenzamide
CID 136606047
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
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
4-chloro-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 136605991
5-bromo-N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
CID 136605513
N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide
CID 136605977
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
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-(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
4-bromo-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136615366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of 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) is 5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide is O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?
The InChIKey is YPPQGCMYJWXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O3S/c20-15-7-6-13(28-15)18(27)22-16-9-12(14-5-2-8-29-14)24-25(16)19-21-11-4-1-3-10(11)17(26)23-19/h2,5-9H,1,3-4H2,(H,22,27)(H,21,23,26).
What are the key properties of 5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?
5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide has a molecular weight of 472.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 136605935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).