2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate

C19H13FN5O2- — CID 140652233

IUPAC2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate
SMILES[H]/N=C(\[O-])c1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)[nH]c1=O
InChIInChI=1S/C19H14FN5O2/c20-14-7-3-1-5-11(14)10-25-15-8-4-2-6-12(15)16(24-25)18-22-9-13(17(21)26)19(27)23-18/h1-9H,10H2,(H2,21,26)(H,22,23,27)/p-1
InChIKeyDGXVKRYBLGADRL-UHFFFAOYSA-M
MW362.34 g/mol
LogP1.66
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate

2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate (PubChem CID 140652233) has the molecular formula C19H13FN5O2- and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate
PubChem CID140652233
Molecular FormulaC19H13FN5O2-
Molecular Weight362.34 g/mol
Exact Mass362.11
IUPAC Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate
SMILES[H]/N=C(\[O-])c1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)[nH]c1=O
InChIInChI=1S/C19H14FN5O2/c20-14-7-3-1-5-11(14)10-25-15-8-4-2-6-12(15)16(24-25)18-22-9-13(17(21)26)19(27)23-18/h1-9H,10H2,(H2,21,26)(H,22,23,27)/p-1
InChIKeyDGXVKRYBLGADRL-UHFFFAOYSA-M
XLogP1.66
TPSA110.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 66614167
5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 21334392
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
CID 86732462
2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one
CID 137253675
2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
CID 118233431
1-[(2-fluorophenyl)methyl]-2H-indazol-3-one
CID 10752656
4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one
CID 137082204
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-2-ylpyrimidin-4-amine
CID 130405195
5-(1,1-difluoro-2-hydroxyethyl)-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
CID 169021070
[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 21334457
4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 150397331
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one
CID 135882265

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate (CID 140652233) is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate is [H]/N=C(\[O-])c1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)[nH]c1=O.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate?
The InChIKey is DGXVKRYBLGADRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14FN5O2/c20-14-7-3-1-5-11(14)10-25-15-8-4-2-6-12(15)16(24-25)18-22-9-13(17(21)26)19(27)23-18/h1-9H,10H2,(H2,21,26)(H,22,23,27)/p-1.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate?
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate has a molecular weight of 362.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate is sourced from PubChem (CID 140652233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).