N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

C16H14N6O2S — CID 11462357

IUPACN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2nccs2)NC(=O)N1
InChIInChI=1S/C16H14N6O2S/c1-8-12(13(21-16(24)19-8)15-17-4-5-25-15)14(23)20-10-2-3-11-9(6-10)7-18-22-11/h2-7,13H,1H3,(H,18,22)(H,20,23)(H2,19,21,24)
InChIKeyDJAXOXYDCQLLAI-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.29
Rot. Bonds3

About N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 11462357) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID11462357
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC NameN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2nccs2)NC(=O)N1
InChIInChI=1S/C16H14N6O2S/c1-8-12(13(21-16(24)19-8)15-17-4-5-25-15)14(23)20-10-2-3-11-9(6-10)7-18-22-11/h2-7,13H,1H3,(H,18,22)(H,20,23)(H2,19,21,24)
InChIKeyDJAXOXYDCQLLAI-UHFFFAOYSA-N
XLogP2.29
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-hydroxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11739987
4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11303843
4-(3-chlorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11280490
4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11450989
4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 67455754
N-(1H-indazol-5-yl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11773316
4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11153639
4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11384244
N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11418542
N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11749186
N-(1H-indazol-5-yl)-3-methylthiophene-2-carboxamide
CID 112527198
4-[4-fluoro-3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888943

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 11462357) is N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2nccs2)NC(=O)N1.
What is the InChIKey of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is DJAXOXYDCQLLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c1-8-12(13(21-16(24)19-8)15-17-4-5-25-15)14(23)20-10-2-3-11-9(6-10)7-18-22-11/h2-7,13H,1H3,(H,18,22)(H,20,23)(H2,19,21,24).
What are the key properties of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 11462357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).