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

C21H18N8O2 — CID 11418542

IUPACN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(-n3cncn3)cc2)NC(=O)N1
InChIInChI=1S/C21H18N8O2/c1-12-18(20(30)26-15-4-7-17-14(8-15)9-23-28-17)19(27-21(31)25-12)13-2-5-16(6-3-13)29-11-22-10-24-29/h2-11,19H,1H3,(H,23,28)(H,26,30)(H2,25,27,31)
InChIKeyGLSIIGWJNVHZAP-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.41
Rot. Bonds4

About 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

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 (PubChem CID 11418542) has the molecular formula C21H18N8O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID11418542
Molecular FormulaC21H18N8O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC NameN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(-n3cncn3)cc2)NC(=O)N1
InChIInChI=1S/C21H18N8O2/c1-12-18(20(30)26-15-4-7-17-14(8-15)9-23-28-17)19(27-21(31)25-12)13-2-5-16(6-3-13)29-11-22-10-24-29/h2-11,19H,1H3,(H,23,28)(H,26,30)(H2,25,27,31)
InChIKeyGLSIIGWJNVHZAP-UHFFFAOYSA-N
XLogP2.41
TPSA129.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11303843
4-(3-hydroxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11739987
4-(3-chlorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11280490
4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11153639
N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11462357
4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11384244
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-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 155950978
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
N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11749186
(4S)-N,4-bis(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 962637
(4S)-4-(4-chlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1014349

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(-n3cncn3)cc2)NC(=O)N1.
What is the InChIKey of 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?
The InChIKey is GLSIIGWJNVHZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O2/c1-12-18(20(30)26-15-4-7-17-14(8-15)9-23-28-17)19(27-21(31)25-12)13-2-5-16(6-3-13)29-11-22-10-24-29/h2-11,19H,1H3,(H,23,28)(H,26,30)(H2,25,27,31).
What are the key properties of 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?
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 has a molecular weight of 414.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11418542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).