2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide

C19H17FN6O — CID 91590191

IUPAC2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide
SMILESCC1=NC(N)=NC(c2ccc(F)cc2)C1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H17FN6O/c1-10-16(17(25-19(21)23-10)11-2-4-13(20)5-3-11)18(27)24-14-6-7-15-12(8-14)9-22-26-15/h2-9,16-17H,1H3,(H2,21,25)(H,22,26)(H,24,27)
InChIKeyYKBLTNJFBHAKPB-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.79
Rot. Bonds3

About 2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide

2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide (PubChem CID 91590191) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide
PubChem CID91590191
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide
SMILESCC1=NC(N)=NC(c2ccc(F)cc2)C1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H17FN6O/c1-10-16(17(25-19(21)23-10)11-2-4-13(20)5-3-11)18(27)24-14-6-7-15-12(8-14)9-22-26-15/h2-9,16-17H,1H3,(H2,21,25)(H,22,26)(H,24,27)
InChIKeyYKBLTNJFBHAKPB-UHFFFAOYSA-N
XLogP2.79
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-(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-[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
3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835019
6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91362790
6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 90878838
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-[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
1-(1H-indazol-5-yl)-2-methylguanidine
CID 137381769

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide (CID 91590191) is 2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide is CC1=NC(N)=NC(c2ccc(F)cc2)C1C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide?
The InChIKey is YKBLTNJFBHAKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-10-16(17(25-19(21)23-10)11-2-4-13(20)5-3-11)18(27)24-14-6-7-15-12(8-14)9-22-26-15/h2-9,16-17H,1H3,(H2,21,25)(H,22,26)(H,24,27).
What are the key properties of 2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide?
2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 91590191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).