tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate

C26H27N5O4 — CID 166949378

IUPACtert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nc23)C1
InChIInChI=1S/C26H27N5O4/c1-26(2,3)35-25(33)30-14-17(15-30)20-13-28-31-22(23(27)32)21(29-24(20)31)16-9-11-19(12-10-16)34-18-7-5-4-6-8-18/h4-13,17,28H,14-15H2,1-3H3,(H2,27,32)
InChIKeyQUGOJSQWLFMRBK-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.55
Rot. Bonds5

About tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate

tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate (PubChem CID 166949378) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate
PubChem CID166949378
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Nametert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nc23)C1
InChIInChI=1S/C26H27N5O4/c1-26(2,3)35-25(33)30-14-17(15-30)20-13-28-31-22(23(27)32)21(29-24(20)31)16-9-11-19(12-10-16)34-18-7-5-4-6-8-18/h4-13,17,28H,14-15H2,1-3H3,(H2,27,32)
InChIKeyQUGOJSQWLFMRBK-UHFFFAOYSA-N
XLogP4.55
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate
CID 166949274
tert-butyl 4-[3-carbamoyl-2-[4-(4-chlorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate
CID 166949249
2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 164628847
2-[4-(4-methylphenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 166949371
7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 166949214
7-(1-but-2-ynoylpyrrolidin-3-yl)-2-[4-(4-fluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 164626111
2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 175408078
5-carbamoyl-4-(4-phenoxyphenyl)-3,6,7,12-tetrazatricyclo[6.5.0.02,6]trideca-1(8),2,4-triene-12-carboxylic acid
CID 175408073
tert-butyl 3-[4-carbamoyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 90188886
7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 175408014
tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate
CID 153372613
tert-butyl 3-[2-amino-3-carbamoyl-4-(4-phenoxyphenyl)pyrrol-1-yl]piperidine-1-carboxylate
CID 90194448

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate (CID 166949378) is tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nc23)C1.
What is the InChIKey of tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate?
The InChIKey is QUGOJSQWLFMRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-26(2,3)35-25(33)30-14-17(15-30)20-13-28-31-22(23(27)32)21(29-24(20)31)16-9-11-19(12-10-16)34-18-7-5-4-6-8-18/h4-13,17,28H,14-15H2,1-3H3,(H2,27,32).
What are the key properties of tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate?
tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate has a molecular weight of 473.53 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate is sourced from PubChem (CID 166949378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).