N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide

C32H35FN10O2 — CID 166631831

IUPACN-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCc1cc(Nc2cc(-c3cnn(CCN4CCOCC4)c3)nc(Nc3ccc(CC(=O)Nc4ccc(C)c(F)c4)cc3)n2)n[nH]1
InChIInChI=1S/C32H35FN10O2/c1-21-3-6-26(17-27(21)33)35-31(44)16-23-4-7-25(8-5-23)36-32-37-28(18-29(39-32)38-30-15-22(2)40-41-30)24-19-34-43(20-24)10-9-42-11-13-45-14-12-42/h3-8,15,17-20H,9-14,16H2,1-2H3,(H,35,44)(H3,36,37,38,39,40,41)
InChIKeyXDLOBGRWHOOBIA-UHFFFAOYSA-N
MW610.70 g/mol
LogP4.82
Rot. Bonds11

About N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide

N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 166631831) has the molecular formula C32H35FN10O2 and a molecular weight of 610.70 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID166631831
Molecular FormulaC32H35FN10O2
Molecular Weight610.70 g/mol
Exact Mass610.29
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCc1cc(Nc2cc(-c3cnn(CCN4CCOCC4)c3)nc(Nc3ccc(CC(=O)Nc4ccc(C)c(F)c4)cc3)n2)n[nH]1
InChIInChI=1S/C32H35FN10O2/c1-21-3-6-26(17-27(21)33)35-31(44)16-23-4-7-25(8-5-23)36-32-37-28(18-29(39-32)38-30-15-22(2)40-41-30)24-19-34-43(20-24)10-9-42-11-13-45-14-12-42/h3-8,15,17-20H,9-14,16H2,1-2H3,(H,35,44)(H3,36,37,38,39,40,41)
InChIKeyXDLOBGRWHOOBIA-UHFFFAOYSA-N
XLogP4.82
TPSA137.91 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.70
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide (CID 166631831) is N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide is Cc1cc(Nc2cc(-c3cnn(CCN4CCOCC4)c3)nc(Nc3ccc(CC(=O)Nc4ccc(C)c(F)c4)cc3)n2)n[nH]1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is XDLOBGRWHOOBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN10O2/c1-21-3-6-26(17-27(21)33)35-31(44)16-23-4-7-25(8-5-23)36-32-37-28(18-29(39-32)38-30-15-22(2)40-41-30)24-19-34-43(20-24)10-9-42-11-13-45-14-12-42/h3-8,15,17-20H,9-14,16H2,1-2H3,(H,35,44)(H3,36,37,38,39,40,41).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 610.70 g/mol, XLogP of 4.82, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 166631831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).