N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide

C20H21FN6O2 — CID 69092520

IUPACN-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc(Nc3cnn(CC(=O)NC4CC4)c3)ncc2C)cc1F
InChIInChI=1S/C20H21FN6O2/c1-12-8-22-20(26-19(12)13-3-6-17(29-2)16(21)7-13)25-15-9-23-27(10-15)11-18(28)24-14-4-5-14/h3,6-10,14H,4-5,11H2,1-2H3,(H,24,28)(H,22,25,26)
InChIKeyXOHALWYETABUNQ-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.82
Rot. Bonds7

About N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide

N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide (PubChem CID 69092520) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
PubChem CID69092520
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC NameN-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc(Nc3cnn(CC(=O)NC4CC4)c3)ncc2C)cc1F
InChIInChI=1S/C20H21FN6O2/c1-12-8-22-20(26-19(12)13-3-6-17(29-2)16(21)7-13)25-15-9-23-27(10-15)11-18(28)24-14-4-5-14/h3,6-10,14H,4-5,11H2,1-2H3,(H,24,28)(H,22,25,26)
InChIKeyXOHALWYETABUNQ-UHFFFAOYSA-N
XLogP2.82
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide (CID 69092520) is N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide is COc1ccc(-c2nc(Nc3cnn(CC(=O)NC4CC4)c3)ncc2C)cc1F.
What is the InChIKey of N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The InChIKey is XOHALWYETABUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-12-8-22-20(26-19(12)13-3-6-17(29-2)16(21)7-13)25-15-9-23-27(10-15)11-18(28)24-14-4-5-14/h3,6-10,14H,4-5,11H2,1-2H3,(H,24,28)(H,22,25,26).
What are the key properties of N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide has a molecular weight of 396.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 69092520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).