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

C24H24ClN7O2 — CID 25265406

IUPAC3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)c1
InChIInChI=1S/C24H24ClN7O2/c1-13-8-19(20(34-4)11-17(13)15-6-5-7-16(10-15)23(33)26-3)28-24-27-12-18(25)22(30-24)29-21-9-14(2)31-32-21/h5-12H,1-4H3,(H,26,33)(H3,27,28,29,30,31,32)
InChIKeyYOVVFPPRDVLTLG-UHFFFAOYSA-N
MW477.96 g/mol
LogP4.99
Rot. Bonds7

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

3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide (PubChem CID 25265406) has the molecular formula C24H24ClN7O2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
PubChem CID25265406
Molecular FormulaC24H24ClN7O2
Molecular Weight477.96 g/mol
Exact Mass477.17
IUPAC Name3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)c1
InChIInChI=1S/C24H24ClN7O2/c1-13-8-19(20(34-4)11-17(13)15-6-5-7-16(10-15)23(33)26-3)28-24-27-12-18(25)22(30-24)29-21-9-14(2)31-32-21/h5-12H,1-4H3,(H,26,33)(H3,27,28,29,30,31,32)
InChIKeyYOVVFPPRDVLTLG-UHFFFAOYSA-N
XLogP4.99
TPSA116.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.96
LogP ≤ 54.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-chloro-2-[(11-methoxy-3-methyl-2,4,5,6,7,8-hexahydro-1H-3-benzazecin-10-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 90655782
2-[[5-chloro-2-[(10-methoxy-3-methyl-1,2,4,5,6,7-hexahydro-3-benzazonin-9-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 90655783
3-methoxy-N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]benzamide
CID 73386865
N-(2-methoxy-5-methylphenyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16309345
4-[[5-Chloro-2-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyanilino)pyrimidin-4-yl]amino]benzamide
CID 155528694
N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664587
3-[2-(2-Methoxy-phenylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methyl-benzamide
CID 67481445
1-(3-(4-((4-methoxy-[1,1'-biphenyl]-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)ethanone
CID 121487956
4-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
CID 25263741
5'-Methoxy-N,2'-dimethyl-4'-(4-(5-methyl-1H-pyrazol-3-ylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)biphenyl-4-carboxamide
CID 25265405
3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N,N-dimethylpyridazine-4-carboxamide
CID 42632931
5-chloro-2-N-[2-fluoro-4-(furan-3-yl)-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44621247

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?
The IUPAC name of 3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide (CID 25265406) is 3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide.
What is the SMILES notation for 3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?
The canonical SMILES for 3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide is CNC(=O)c1cccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)c1.
What is the InChIKey of 3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?
The InChIKey is YOVVFPPRDVLTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O2/c1-13-8-19(20(34-4)11-17(13)15-6-5-7-16(10-15)23(33)26-3)28-24-27-12-18(25)22(30-24)29-21-9-14(2)31-32-21/h5-12H,1-4H3,(H,26,33)(H3,27,28,29,30,31,32).
What are the key properties of 3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?
3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide has a molecular weight of 477.96 g/mol, XLogP of 4.99, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide is sourced from PubChem (CID 25265406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).