2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide

C18H19FN6O2 — CID 137069274

IUPAC2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1cc(Nc2ncc(C)c(-c3ccc(O)c(F)c3)n2)cn1
InChIInChI=1S/C18H19FN6O2/c1-3-14(17(20)27)25-9-12(8-22-25)23-18-21-7-10(2)16(24-18)11-4-5-15(26)13(19)6-11/h4-9,14,26H,3H2,1-2H3,(H2,20,27)(H,21,23,24)
InChIKeyFJXBSKGYFLIBJY-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.67
Rot. Bonds6

About 2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide

2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide (PubChem CID 137069274) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide
PubChem CID137069274
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1cc(Nc2ncc(C)c(-c3ccc(O)c(F)c3)n2)cn1
InChIInChI=1S/C18H19FN6O2/c1-3-14(17(20)27)25-9-12(8-22-25)23-18-21-7-10(2)16(24-18)11-4-5-15(26)13(19)6-11/h4-9,14,26H,3H2,1-2H3,(H2,20,27)(H,21,23,24)
InChIKeyFJXBSKGYFLIBJY-UHFFFAOYSA-N
XLogP2.67
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide with MolForge

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Related Compounds

2-[(1S)-1-[[6-amino-5-(3-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73774946
2-[(1S)-1-[[6-amino-5-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73774948
(2S)-2-(6-butyl-2-(4-(4-hydroxyphenyl)-1H-imidazol-1-yl)pyrimidin-4-ylamino)-N-(3-ethoxypropyl)-4-methylpentanamide
CID 44410909
(3S)-3-(4-hydroxyphenyl)-3-[[2-[4-[3-(pyridin-2-ylamino)propyl]triazol-1-yl]acetyl]amino]propanoic acid
CID 127037453
4-[2-Amino-6-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]pyrimidin-4-yl]phenol
CID 136058433
US10308614, Example 197
CID 137029445
US11344549, Example 41
CID 165112254
US11344549, Example 56
CID 165112268
4-[2-(3-Imidazol-1-ylpropylamino)-6-phenylpyrimidin-4-yl]phenol
CID 136184446
2-[2-Amino-6-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]pyrimidin-4-yl]phenol
CID 136196473
[5-(4-Hydroxyphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 137653907
5-(4-hydroxyphenyl)-1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 137657257

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide?
The IUPAC name of 2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide (CID 137069274) is 2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide.
What is the SMILES notation for 2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide?
The canonical SMILES for 2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide is CCC(C(N)=O)n1cc(Nc2ncc(C)c(-c3ccc(O)c(F)c3)n2)cn1.
What is the InChIKey of 2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide?
The InChIKey is FJXBSKGYFLIBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-3-14(17(20)27)25-9-12(8-22-25)23-18-21-7-10(2)16(24-18)11-4-5-15(26)13(19)6-11/h4-9,14,26H,3H2,1-2H3,(H2,20,27)(H,21,23,24).
What are the key properties of 2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide?
2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide has a molecular weight of 370.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide is sourced from PubChem (CID 137069274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).