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

C29H33N5O4 — CID 166949274

IUPACtert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate
SMILESCc1ccc(Oc2ccc(-c3nc4c(C5CCN(C(=O)OC(C)(C)C)CC5)c[nH]n4c3C(N)=O)cc2)cc1
InChIInChI=1S/C29H33N5O4/c1-18-5-9-21(10-6-18)37-22-11-7-20(8-12-22)24-25(26(30)35)34-27(32-24)23(17-31-34)19-13-15-33(16-14-19)28(36)38-29(2,3)4/h5-12,17,19,31H,13-16H2,1-4H3,(H2,30,35)
InChIKeyWYYXMPCYRJUCLY-UHFFFAOYSA-N
MW515.61 g/mol
LogP5.64
Rot. Bonds5

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

tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate (PubChem CID 166949274) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate
PubChem CID166949274
Molecular FormulaC29H33N5O4
Molecular Weight515.61 g/mol
Exact Mass515.25
IUPAC Nametert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate
SMILESCc1ccc(Oc2ccc(-c3nc4c(C5CCN(C(=O)OC(C)(C)C)CC5)c[nH]n4c3C(N)=O)cc2)cc1
InChIInChI=1S/C29H33N5O4/c1-18-5-9-21(10-6-18)37-22-11-7-20(8-12-22)24-25(26(30)35)34-27(32-24)23(17-31-34)19-13-15-33(16-14-19)28(36)38-29(2,3)4/h5-12,17,19,31H,13-16H2,1-4H3,(H2,30,35)
InChIKeyWYYXMPCYRJUCLY-UHFFFAOYSA-N
XLogP5.64
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[3-carbamoyl-2-[4-(4-chlorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate
CID 166949249
tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate
CID 166949378
7-(1-but-2-ynoylpyrrolidin-3-yl)-2-[4-(4-fluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 164626111
2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 164628847
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 90737093
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 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride
CID 167543502
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 4-[3-carbamoyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]pyrazolo[4,3-b]pyridin-7-yl]piperidine-1-carboxylate
CID 164537750
tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 130295435
tert-butyl 4-(4-carbamothioylphenyl)piperidine-1-carboxylate
CID 172570363
4-O-tert-butyl 1-O-(4-methylphenyl) piperazine-1,4-dicarboxylate
CID 89003645

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate (CID 166949274) is tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate is Cc1ccc(Oc2ccc(-c3nc4c(C5CCN(C(=O)OC(C)(C)C)CC5)c[nH]n4c3C(N)=O)cc2)cc1.
What is the InChIKey of tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate?
The InChIKey is WYYXMPCYRJUCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-18-5-9-21(10-6-18)37-22-11-7-20(8-12-22)24-25(26(30)35)34-27(32-24)23(17-31-34)19-13-15-33(16-14-19)28(36)38-29(2,3)4/h5-12,17,19,31H,13-16H2,1-4H3,(H2,30,35).
What are the key properties of tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate has a molecular weight of 515.61 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 166949274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).