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

C20H18N6O3 — CID 11303843

IUPAC4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(C(N)=O)cc2)NC(=O)N1
InChIInChI=1S/C20H18N6O3/c1-10-16(19(28)24-14-6-7-15-13(8-14)9-22-26-15)17(25-20(29)23-10)11-2-4-12(5-3-11)18(21)27/h2-9,17H,1H3,(H2,21,27)(H,22,26)(H,24,28)(H2,23,25,29)
InChIKeyNCPQBDQHXISGFZ-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.93
Rot. Bonds4

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

4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 11303843) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID11303843
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(C(N)=O)cc2)NC(=O)N1
InChIInChI=1S/C20H18N6O3/c1-10-16(19(28)24-14-6-7-15-13(8-14)9-22-26-15)17(25-20(29)23-10)11-2-4-12(5-3-11)18(21)27/h2-9,17H,1H3,(H2,21,27)(H,22,26)(H,24,28)(H2,23,25,29)
InChIKeyNCPQBDQHXISGFZ-UHFFFAOYSA-N
XLogP1.93
TPSA142.00 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 11303843) is 4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-carbamoylphenyl)-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(c2ccc(C(N)=O)cc2)NC(=O)N1.
What is the InChIKey of 4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is NCPQBDQHXISGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-10-16(19(28)24-14-6-7-15-13(8-14)9-22-26-15)17(25-20(29)23-10)11-2-4-12(5-3-11)18(21)27/h2-9,17H,1H3,(H2,21,27)(H,22,26)(H,24,28)(H2,23,25,29).
What are the key properties of 4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 11303843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).