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

C19H16ClN5O2 — CID 91362790

IUPAC6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=NC(=O)NC(c2cccc(Cl)c2)C1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H16ClN5O2/c1-10-16(17(24-19(27)22-10)11-3-2-4-13(20)7-11)18(26)23-14-5-6-15-12(8-14)9-21-25-15/h2-9,16-17H,1H3,(H,21,25)(H,23,26)(H,24,27)
InChIKeyGRJRHUVGLVNVKX-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.70
Rot. Bonds3

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

6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 91362790) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID91362790
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=NC(=O)NC(c2cccc(Cl)c2)C1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H16ClN5O2/c1-10-16(17(24-19(27)22-10)11-3-2-4-13(20)7-11)18(26)23-14-5-6-15-12(8-14)9-21-25-15/h2-9,16-17H,1H3,(H,21,25)(H,23,26)(H,24,27)
InChIKeyGRJRHUVGLVNVKX-UHFFFAOYSA-N
XLogP3.70
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-difluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91304245
6-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91090625
N-(1H-indazol-5-yl)-4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91500375
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91135404
6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91134729
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91372536
6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 90878838
6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 90863970
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91122570
4-(3-chlorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11280490
N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91046267
N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91217504

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 91362790) is 6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is CC1=NC(=O)NC(c2cccc(Cl)c2)C1C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is GRJRHUVGLVNVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-10-16(17(24-19(27)22-10)11-3-2-4-13(20)7-11)18(26)23-14-5-6-15-12(8-14)9-21-25-15/h2-9,16-17H,1H3,(H,21,25)(H,23,26)(H,24,27).
What are the key properties of 6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91362790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).