4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide

C25H27N7O2 — CID 25264680

IUPAC4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(C)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1
InChIInChI=1S/C25H27N7O2/c1-14-10-20(21(34-5)12-19(14)17-6-8-18(9-7-17)24(33)26-4)28-25-27-13-15(2)23(30-25)29-22-11-16(3)31-32-22/h6-13H,1-5H3,(H,26,33)(H3,27,28,29,30,31,32)
InChIKeyYPCFCAGOEFBWFW-UHFFFAOYSA-N
MW457.54 g/mol
LogP4.65
Rot. Bonds7

About 4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide

4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide (PubChem CID 25264680) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide
PubChem CID25264680
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(C)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1
InChIInChI=1S/C25H27N7O2/c1-14-10-20(21(34-5)12-19(14)17-6-8-18(9-7-17)24(33)26-4)28-25-27-13-15(2)23(30-25)29-22-11-16(3)31-32-22/h6-13H,1-5H3,(H,26,33)(H3,27,28,29,30,31,32)
InChIKeyYPCFCAGOEFBWFW-UHFFFAOYSA-N
XLogP4.65
TPSA116.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?
The IUPAC name of 4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide (CID 25264680) is 4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?
The canonical SMILES for 4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(C)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.
What is the InChIKey of 4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?
The InChIKey is YPCFCAGOEFBWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-14-10-20(21(34-5)12-19(14)17-6-8-18(9-7-17)24(33)26-4)28-25-27-13-15(2)23(30-25)29-22-11-16(3)31-32-22/h6-13H,1-5H3,(H,26,33)(H3,27,28,29,30,31,32).
What are the key properties of 4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?
4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide has a molecular weight of 457.54 g/mol, XLogP of 4.65, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide is sourced from PubChem (CID 25264680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).