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

C19H14ClF2N5O — CID 134291730

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one
SMILESCc1cc2[nH]ncc2cc1Nc1nc(=O)c(F)cn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H14ClF2N5O/c1-10-4-17-12(7-23-26-17)6-16(10)24-19-25-18(28)15(22)9-27(19)8-11-2-3-14(21)13(20)5-11/h2-7,9H,8H2,1H3,(H,23,26)(H,24,25,28)
InChIKeyDWFJSYZHDCXKND-UHFFFAOYSA-N
MW401.80 g/mol
LogP4.15
Rot. Bonds4

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

1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one (PubChem CID 134291730) has the molecular formula C19H14ClF2N5O and a molecular weight of 401.80 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one
PubChem CID134291730
Molecular FormulaC19H14ClF2N5O
Molecular Weight401.80 g/mol
Exact Mass401.09
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one
SMILESCc1cc2[nH]ncc2cc1Nc1nc(=O)c(F)cn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H14ClF2N5O/c1-10-4-17-12(7-23-26-17)6-16(10)24-19-25-18(28)15(22)9-27(19)8-11-2-3-14(21)13(20)5-11/h2-7,9H,8H2,1H3,(H,23,26)(H,24,25,28)
InChIKeyDWFJSYZHDCXKND-UHFFFAOYSA-N
XLogP4.15
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 25093239
1-[2-(4-chlorophenyl)ethyl]-3-(1H-indazol-5-yl)urea
CID 70691935
1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-5-yl)amino]pyrimidin-4-one
CID 134291013
1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134291075
5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291166
1-[(3,4-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one
CID 134291175
1-[(3-chloro-5-fluorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134291215
1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one
CID 134469089
1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134290446
1-(1H-indazol-5-yl)-7-chloro-4-(methyl-amino)hydroquinazolin-2-one
CID 153154315
7-chloro-4-(dimethylamino)-1-(1H-indazol-5-yl)quinazolin-2(1H)-one
CID 153608994
1-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indazol-5-yl)urea
CID 9858198

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one (CID 134291730) is 1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one is Cc1cc2[nH]ncc2cc1Nc1nc(=O)c(F)cn1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one?
The InChIKey is DWFJSYZHDCXKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5O/c1-10-4-17-12(7-23-26-17)6-16(10)24-19-25-18(28)15(22)9-27(19)8-11-2-3-14(21)13(20)5-11/h2-7,9H,8H2,1H3,(H,23,26)(H,24,25,28).
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one?
1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one has a molecular weight of 401.80 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one is sourced from PubChem (CID 134291730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).