1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea

C27H27N3O2 — CID 10180771

IUPAC1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea
SMILESCc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccncc2)c2ccccc12
InChIInChI=1S/C27H27N3O2/c1-18-9-10-19(27(2,3)4)17-24(18)30-26(31)29-23-11-12-25(22-8-6-5-7-21(22)23)32-20-13-15-28-16-14-20/h5-17H,1-4H3,(H2,29,30,31)
InChIKeyWQCKNOHLEAQFAP-UHFFFAOYSA-N
MW425.53 g/mol
LogP7.28
Rot. Bonds4

About 1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea

1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea (PubChem CID 10180771) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea
PubChem CID10180771
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea
SMILESCc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccncc2)c2ccccc12
InChIInChI=1S/C27H27N3O2/c1-18-9-10-19(27(2,3)4)17-24(18)30-26(31)29-23-11-12-25(22-8-6-5-7-21(22)23)32-20-13-15-28-16-14-20/h5-17H,1-4H3,(H2,29,30,31)
InChIKeyWQCKNOHLEAQFAP-UHFFFAOYSA-N
XLogP7.28
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)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-(5-tert-butyl-2,3-dimethoxyphenyl)-3-[4-[(2-methoxy-4-pyridinyl)oxy]naphthalen-1-yl]urea
CID 10278706
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea
CID 10298895
[5-tert-butyl-3-[[4-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]naphthalen-1-yl]carbamoylamino]-2-methoxyphenyl]carbamic acid
CID 23505901
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[2-(dimethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 10184638
4-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]oxypyrimidine-2-carboxylic acid
CID 22573873
1-[2-(4-tert-butyl-2-methylphenyl)pyrazol-3-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea
CID 154450922
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 91068032
[5-tert-butyl-2-methoxy-3-[[4-[3-(4-methyl-1,3-oxazol-5-yl)phenoxy]naphthalen-1-yl]carbamoylamino]phenyl]carbamic acid
CID 23505763
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[[2-(3-methoxy-5-methylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 145380097
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[[2-(diethylaminomethyl)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 10282601
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-(2-phenoxypyrimidin-4-yl)oxynaphthalen-1-yl]urea
CID 23505793
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea
CID 10166597

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea?
The IUPAC name of 1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea (CID 10180771) is 1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea?
The canonical SMILES for 1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea is Cc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccncc2)c2ccccc12.
What is the InChIKey of 1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea?
The InChIKey is WQCKNOHLEAQFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-18-9-10-19(27(2,3)4)17-24(18)30-26(31)29-23-11-12-25(22-8-6-5-7-21(22)23)32-20-13-15-28-16-14-20/h5-17H,1-4H3,(H2,29,30,31).
What are the key properties of 1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea?
1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea has a molecular weight of 425.53 g/mol, XLogP of 7.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methylphenyl)-3-(4-pyridin-4-yloxynaphthalen-1-yl)urea is sourced from PubChem (CID 10180771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).