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

C19H21N5O2 — CID 11450989

IUPAC4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(C2=CCCCC2)NC(=O)N1
InChIInChI=1S/C19H21N5O2/c1-11-16(17(23-19(26)21-11)12-5-3-2-4-6-12)18(25)22-14-7-8-15-13(9-14)10-20-24-15/h5,7-10,17H,2-4,6H2,1H3,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyHQMQPFVZCQJKBI-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.96
Rot. Bonds3

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

4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 11450989) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID11450989
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(C2=CCCCC2)NC(=O)N1
InChIInChI=1S/C19H21N5O2/c1-11-16(17(23-19(26)21-11)12-5-3-2-4-6-12)18(25)22-14-7-8-15-13(9-14)10-20-24-15/h5,7-10,17H,2-4,6H2,1H3,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyHQMQPFVZCQJKBI-UHFFFAOYSA-N
XLogP2.96
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11462357
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-[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)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11749186
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
4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11384244
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
4-[3-[[2,6-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888933

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 11450989) is 4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(C2=CCCCC2)NC(=O)N1.
What is the InChIKey of 4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is HQMQPFVZCQJKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11-16(17(23-19(26)21-11)12-5-3-2-4-6-12)18(25)22-14-7-8-15-13(9-14)10-20-24-15/h5,7-10,17H,2-4,6H2,1H3,(H,20,24)(H,22,25)(H2,21,23,26).
What are the key properties of 4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 11450989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).