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

C19H14FN5O2 — CID 86732429

IUPAC2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESNC(=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)
InChIKeyDGXVKRYBLGADRL-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.07
Rot. Bonds4

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

2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 86732429) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID86732429
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESNC(=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)
InChIKeyDGXVKRYBLGADRL-UHFFFAOYSA-N
XLogP2.07
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 86732429) is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide is NC(=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-carboxamide?
The InChIKey is DGXVKRYBLGADRL-UHFFFAOYSA-N. 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).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 363.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-carboxamide is sourced from PubChem (CID 86732429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).