1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea

C26H35N5O3 — CID 69146202

IUPAC1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea
SMILESCN1NC(C(C)(C)C)C=C1NC(=O)Nc1ccc(OCCN2CC3CC2CO3)c2ccccc12
InChIInChI=1S/C26H35N5O3/c1-26(2,3)23-14-24(30(4)29-23)28-25(32)27-21-9-10-22(20-8-6-5-7-19(20)21)33-12-11-31-15-18-13-17(31)16-34-18/h5-10,14,17-18,23,29H,11-13,15-16H2,1-4H3,(H2,27,28,32)
InChIKeyVBVHFIPOOLWYLY-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.52
Rot. Bonds6

About 1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea

1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea (PubChem CID 69146202) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea
PubChem CID69146202
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea
SMILESCN1NC(C(C)(C)C)C=C1NC(=O)Nc1ccc(OCCN2CC3CC2CO3)c2ccccc12
InChIInChI=1S/C26H35N5O3/c1-26(2,3)23-14-24(30(4)29-23)28-25(32)27-21-9-10-22(20-8-6-5-7-19(20)21)33-12-11-31-15-18-13-17(31)16-34-18/h5-10,14,17-18,23,29H,11-13,15-16H2,1-4H3,(H2,27,28,32)
InChIKeyVBVHFIPOOLWYLY-UHFFFAOYSA-N
XLogP3.52
TPSA78.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-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

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]benzamide
CID 163276858
methyl 5-tert-butyl-1-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylate
CID 18406693
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(2-chloroethoxy)naphthalen-1-yl]urea
CID 59380902
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[2-[2-[(2-hydroxyphenyl)methyl]morpholin-4-yl]ethoxy]naphthalen-1-yl]urea
CID 57420256
5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide
CID 18406650
1-(5-tert-butyl-2-pyrrolidin-1-ylphenyl)-3-[4-[2-[2-(methoxymethyl)morpholin-4-yl]ethoxy]naphthalen-1-yl]urea
CID 18337521
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperazin-1-ylethoxy)naphthalen-1-yl]urea
CID 11731102
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11409584
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[4-[2-(oxan-4-yl)ethoxy]naphthalen-1-yl]urea
CID 18628985
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-[2-(diethylaminomethyl)morpholin-4-yl]ethoxy]naphthalen-1-yl]urea
CID 22147161
1-[3-tert-butyl-1-[3-(2-morpholin-4-ylethyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 15908533

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea?
The IUPAC name of 1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea (CID 69146202) is 1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea.
What is the SMILES notation for 1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea?
The canonical SMILES for 1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea is CN1NC(C(C)(C)C)C=C1NC(=O)Nc1ccc(OCCN2CC3CC2CO3)c2ccccc12.
What is the InChIKey of 1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea?
The InChIKey is VBVHFIPOOLWYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-26(2,3)23-14-24(30(4)29-23)28-25(32)27-21-9-10-22(20-8-6-5-7-19(20)21)33-12-11-31-15-18-13-17(31)16-34-18/h5-10,14,17-18,23,29H,11-13,15-16H2,1-4H3,(H2,27,28,32).
What are the key properties of 1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea?
1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea has a molecular weight of 465.60 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methyl-1,5-dihydropyrazol-3-yl)-3-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethoxy]naphthalen-1-yl]urea is sourced from PubChem (CID 69146202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).