1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one

C19H14F3N5O — CID 134469089

IUPAC1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one
SMILESCc1cc2[nH]ncc2cc1Nc1nc(=O)c(F)cn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H14F3N5O/c1-10-2-17-12(7-23-26-17)5-16(10)24-19-25-18(28)15(22)9-27(19)8-11-3-13(20)6-14(21)4-11/h2-7,9H,8H2,1H3,(H,23,26)(H,24,25,28)
InChIKeyBZLMUYZPIINJKS-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.64
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one

1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one (PubChem CID 134469089) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one
PubChem CID134469089
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one
SMILESCc1cc2[nH]ncc2cc1Nc1nc(=O)c(F)cn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H14F3N5O/c1-10-2-17-12(7-23-26-17)5-16(10)24-19-25-18(28)15(22)9-27(19)8-11-3-13(20)6-14(21)4-11/h2-7,9H,8H2,1H3,(H,23,26)(H,24,25,28)
InChIKeyBZLMUYZPIINJKS-UHFFFAOYSA-N
XLogP3.64
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one with MolForge

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Related Compounds

Gsk180736A
CID 11233873
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CID 117072130
1-(2,6-difluorobenzyl)-3-(1H-indazol-5-yl)urea
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4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one (CID 134469089) is 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one is Cc1cc2[nH]ncc2cc1Nc1nc(=O)c(F)cn1Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one?
The InChIKey is BZLMUYZPIINJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-10-2-17-12(7-23-26-17)5-16(10)24-19-25-18(28)15(22)9-27(19)8-11-3-13(20)6-14(21)4-11/h2-7,9H,8H2,1H3,(H,23,26)(H,24,25,28).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one?
1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one has a molecular weight of 385.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one is sourced from PubChem (CID 134469089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).