1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea

C18H21N7O2 — CID 141219031

IUPAC1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
SMILESCNC(=O)Nc1ccc(-c2nc(N3CCOC(C)C3)c3cn[nH]c3n2)cc1
InChIInChI=1S/C18H21N7O2/c1-11-10-25(7-8-27-11)17-14-9-20-24-16(14)22-15(23-17)12-3-5-13(6-4-12)21-18(26)19-2/h3-6,9,11H,7-8,10H2,1-2H3,(H2,19,21,26)(H,20,22,23,24)
InChIKeySUIOBGADCNDWIL-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.00
Rot. Bonds3

About 1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea

1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea (PubChem CID 141219031) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
PubChem CID141219031
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
SMILESCNC(=O)Nc1ccc(-c2nc(N3CCOC(C)C3)c3cn[nH]c3n2)cc1
InChIInChI=1S/C18H21N7O2/c1-11-10-25(7-8-27-11)17-14-9-20-24-16(14)22-15(23-17)12-3-5-13(6-4-12)21-18(26)19-2/h3-6,9,11H,7-8,10H2,1-2H3,(H2,19,21,26)(H,20,22,23,24)
InChIKeySUIOBGADCNDWIL-UHFFFAOYSA-N
XLogP2.00
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea
CID 141218881
2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide
CID 25196108
1-methyl-3-[4-[4-morpholin-4-yl-1-(thian-4-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68865284
methyl 4-[4-(2-methylmorpholin-4-yl)-6-[4-(pyridin-2-ylcarbamoylamino)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 68865108
1-methyl-3-[4-[4-morpholin-4-yl-1-[(3S)-piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68867726
1-methyl-3-[4-[1-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 25262946
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-[4-[2,2,2-trifluoro-1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]urea
CID 68731159
1-methyl-3-[4-(4-morpholin-4-ylspiro[5H-furo[3,4-d]pyrimidine-7,1'-cyclopropane]-2-yl)phenyl]urea
CID 58118659
1-[4-[1-(4-hydroxycyclohexyl)-4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
CID 66589007
1-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
CID 25262616
1-methyl-3-[4-(4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-2-yl)phenyl]urea
CID 137467722
1-[4-[1-(4-hydroxycyclohexyl)-4-(3-methoxypiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
CID 143794617

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea?
The IUPAC name of 1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea (CID 141219031) is 1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea is CNC(=O)Nc1ccc(-c2nc(N3CCOC(C)C3)c3cn[nH]c3n2)cc1.
What is the InChIKey of 1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea?
The InChIKey is SUIOBGADCNDWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-11-10-25(7-8-27-11)17-14-9-20-24-16(14)22-15(23-17)12-3-5-13(6-4-12)21-18(26)19-2/h3-6,9,11H,7-8,10H2,1-2H3,(H2,19,21,26)(H,20,22,23,24).
What are the key properties of 1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea?
1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea has a molecular weight of 367.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea is sourced from PubChem (CID 141219031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).