1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea

C30H29N5O — CID 24857487

IUPAC1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea
SMILESCC(C)(C)c1cc(-c2ccc(NC(=O)Nc3cccc(Cc4ccccc4)c3)cc2)c2cn[nH]c2n1
InChIInChI=1S/C30H29N5O/c1-30(2,3)27-18-25(26-19-31-35-28(26)34-27)22-12-14-23(15-13-22)32-29(36)33-24-11-7-10-21(17-24)16-20-8-5-4-6-9-20/h4-15,17-19H,16H2,1-3H3,(H,31,34,35)(H2,32,33,36)
InChIKeyQZAPNYGVMXBXMM-UHFFFAOYSA-N
MW475.60 g/mol
LogP7.16
Rot. Bonds5

About 1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea

1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea (PubChem CID 24857487) has the molecular formula C30H29N5O and a molecular weight of 475.60 g/mol. Its IUPAC name is 1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea
PubChem CID24857487
Molecular FormulaC30H29N5O
Molecular Weight475.60 g/mol
Exact Mass475.24
IUPAC Name1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea
SMILESCC(C)(C)c1cc(-c2ccc(NC(=O)Nc3cccc(Cc4ccccc4)c3)cc2)c2cn[nH]c2n1
InChIInChI=1S/C30H29N5O/c1-30(2,3)27-18-25(26-19-31-35-28(26)34-27)22-12-14-23(15-13-22)32-29(36)33-24-11-7-10-21(17-24)16-20-8-5-4-6-9-20/h4-15,17-19H,16H2,1-3H3,(H,31,34,35)(H2,32,33,36)
InChIKeyQZAPNYGVMXBXMM-UHFFFAOYSA-N
XLogP7.16
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 57.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methylphenyl)urea
CID 24857591
1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2,5-dimethylphenyl)urea
CID 59592813
1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid
CID 141201305
1-[4-(3-amino-6-tert-butyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(4-fluorophenyl)urea
CID 11661687
1-(4-tert-butylphenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 44621736
1-[4-(6-tert-butyl-3-ethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3,5-dimethylphenyl)urea
CID 143263084
1-(4-methylsulfanylphenyl)-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea
CID 20597204
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea
CID 139001345
1-[4-[6-[2-(2-methoxyethoxy)ethylamino]-1H-indazol-4-yl]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 51040341
N-(3-benzylphenyl)propanamide
CID 70797974

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea?
The IUPAC name of 1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea (CID 24857487) is 1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea?
The canonical SMILES for 1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea is CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3cccc(Cc4ccccc4)c3)cc2)c2cn[nH]c2n1.
What is the InChIKey of 1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea?
The InChIKey is QZAPNYGVMXBXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O/c1-30(2,3)27-18-25(26-19-31-35-28(26)34-27)22-12-14-23(15-13-22)32-29(36)33-24-11-7-10-21(17-24)16-20-8-5-4-6-9-20/h4-15,17-19H,16H2,1-3H3,(H,31,34,35)(H2,32,33,36).
What are the key properties of 1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea?
1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea has a molecular weight of 475.60 g/mol, XLogP of 7.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylphenyl)-3-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]urea is sourced from PubChem (CID 24857487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).