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

C23H18ClN5O2 — CID 91046267

IUPACN-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=NC(=O)NC(c2ccc3ccccc3c2)C1C(=O)Nc1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C23H18ClN5O2/c1-12-20(22(30)27-19-9-16-11-25-29-18(16)10-17(19)24)21(28-23(31)26-12)15-7-6-13-4-2-3-5-14(13)8-15/h2-11,20-21H,1H3,(H,25,29)(H,27,30)(H,28,31)
InChIKeyLGMALILTGWDCDP-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.85
Rot. Bonds3

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

N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 91046267) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID91046267
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC NameN-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=NC(=O)NC(c2ccc3ccccc3c2)C1C(=O)Nc1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C23H18ClN5O2/c1-12-20(22(30)27-19-9-16-11-25-29-18(16)10-17(19)24)21(28-23(31)26-12)15-7-6-13-4-2-3-5-14(13)8-15/h2-11,20-21H,1H3,(H,25,29)(H,27,30)(H,28,31)
InChIKeyLGMALILTGWDCDP-UHFFFAOYSA-N
XLogP4.85
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91135404
6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91362790
6-(3,4-difluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91304245
N-(1H-indazol-5-yl)-4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91500375
6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91134729
6-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91090625
N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91217504
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-[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
6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 90878838
N-(2-chloro-4-methylphenyl)-1H-indazole-6-carboxamide
CID 60715106

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 91046267) is N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is CC1=NC(=O)NC(c2ccc3ccccc3c2)C1C(=O)Nc1cc2cn[nH]c2cc1Cl.
What is the InChIKey of N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is LGMALILTGWDCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c1-12-20(22(30)27-19-9-16-11-25-29-18(16)10-17(19)24)21(28-23(31)26-12)15-7-6-13-4-2-3-5-14(13)8-15/h2-11,20-21H,1H3,(H,25,29)(H,27,30)(H,28,31).
What are the key properties of N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 4.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91046267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).