N-(2-fluorophenyl)-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

C31H33FN10O2 — CID 166628965

IUPACN-(2-fluorophenyl)-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)Nc4ccccc4F)cc3)n2)n[nH]1
InChIInChI=1S/C31H33FN10O2/c1-21-16-29(40-39-21)37-28-18-27(23-19-33-42(20-23)11-10-41-12-14-44-15-13-41)36-31(38-28)34-24-8-6-22(7-9-24)17-30(43)35-26-5-3-2-4-25(26)32/h2-9,16,18-20H,10-15,17H2,1H3,(H,35,43)(H3,34,36,37,38,39,40)
InChIKeyDCQCNNMLWZWPCE-UHFFFAOYSA-N
MW596.67 g/mol
LogP4.51
Rot. Bonds11

About N-(2-fluorophenyl)-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-(2-fluorophenyl)-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 166628965) has the molecular formula C31H33FN10O2 and a molecular weight of 596.67 g/mol. Its IUPAC name is N-(2-fluorophenyl)-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-(2-fluorophenyl)-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 CID166628965
Molecular FormulaC31H33FN10O2
Molecular Weight596.67 g/mol
Exact Mass596.28
IUPAC NameN-(2-fluorophenyl)-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)Nc4ccccc4F)cc3)n2)n[nH]1
InChIInChI=1S/C31H33FN10O2/c1-21-16-29(40-39-21)37-28-18-27(23-19-33-42(20-23)11-10-41-12-14-44-15-13-41)36-31(38-28)34-24-8-6-22(7-9-24)17-30(43)35-26-5-3-2-4-25(26)32/h2-9,16,18-20H,10-15,17H2,1H3,(H,35,43)(H3,34,36,37,38,39,40)
InChIKeyDCQCNNMLWZWPCE-UHFFFAOYSA-N
XLogP4.51
TPSA137.91 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.67
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-(2-fluorophenyl)-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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Related Compounds

N-[2-[2-(4-fluorophenyl)ethenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-3-morpholin-4-ylpropanamide
CID 91020246
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
2-(4-methylphenyl)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025663
N-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185855
2-[4-[[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 166633545
4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine
CID 91499361
N-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-[[4-(4-fluorophenyl)-5-methylsulfanylpyrimidin-2-yl]amino]benzamide
CID 134541427
5-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;ethane
CID 91558535
4-[[4-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 127025205
4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97443109
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218
N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960434

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-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-(2-fluorophenyl)-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 166628965) is N-(2-fluorophenyl)-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-(2-fluorophenyl)-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-(2-fluorophenyl)-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)Nc4ccccc4F)cc3)n2)n[nH]1.
What is the InChIKey of N-(2-fluorophenyl)-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 DCQCNNMLWZWPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN10O2/c1-21-16-29(40-39-21)37-28-18-27(23-19-33-42(20-23)11-10-41-12-14-44-15-13-41)36-31(38-28)34-24-8-6-22(7-9-24)17-30(43)35-26-5-3-2-4-25(26)32/h2-9,16,18-20H,10-15,17H2,1H3,(H,35,43)(H3,34,36,37,38,39,40).
What are the key properties of N-(2-fluorophenyl)-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-(2-fluorophenyl)-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 596.67 g/mol, XLogP of 4.51, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-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 166628965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).