tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate

C31H31N5O2 — CID 66665928

IUPACtert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4cc(-n5cccn5)ccn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C31H31N5O2/c1-30(2,3)38-29(37)34-31(16-7-17-31)24-13-11-22(12-14-24)27-28(23-9-5-4-6-10-23)35-20-15-25(21-26(35)33-27)36-19-8-18-32-36/h4-6,8-15,18-21H,7,16-17H2,1-3H3,(H,34,37)
InChIKeySENWUJNXKQSNDT-UHFFFAOYSA-N
MW505.62 g/mol
LogP6.76
Rot. Bonds5

About tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate (PubChem CID 66665928) has the molecular formula C31H31N5O2 and a molecular weight of 505.62 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate
PubChem CID66665928
Molecular FormulaC31H31N5O2
Molecular Weight505.62 g/mol
Exact Mass505.25
IUPAC Nametert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4cc(-n5cccn5)ccn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C31H31N5O2/c1-30(2,3)38-29(37)34-31(16-7-17-31)24-13-11-22(12-14-24)27-28(23-9-5-4-6-10-23)35-20-15-25(21-26(35)33-27)36-19-8-18-32-36/h4-6,8-15,18-21H,7,16-17H2,1-3H3,(H,34,37)
InChIKeySENWUJNXKQSNDT-UHFFFAOYSA-N
XLogP6.76
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 66665545
tert-butyl N-[1-[4-(7-methoxy-3-phenylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclobutyl]carbamate
CID 66665421
methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 66665070
tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
CID 66665600
2,2-dimethylpropyl N-[1-[4-(3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamate
CID 123495262
tert-butyl N-[1-[4-(6-bromo-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamate
CID 86716498
tert-butyl N-[1-[4-[6-chloro-3-phenyl-8-(2H-pyrrol-5-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl]carbamate
CID 161025126
tert-butyl N-[1-[4-(6-chloro-3-phenyl-1,7-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 58524156
tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 123698040
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide;tert-butyl N-[1-[4-(6,8-dicarbamoyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamate
CID 160930040
tert-butyl N-[1-[4-(5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]cyclobutyl]carbamate
CID 118473737
tert-butyl N-[1-[4-(3-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutyl]carbamate
CID 86692117

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate (CID 66665928) is tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4cc(-n5cccn5)ccn4c3-c3ccccc3)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate?
The InChIKey is SENWUJNXKQSNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O2/c1-30(2,3)38-29(37)34-31(16-7-17-31)24-13-11-22(12-14-24)27-28(23-9-5-4-6-10-23)35-20-15-25(21-26(35)33-27)36-19-8-18-32-36/h4-6,8-15,18-21H,7,16-17H2,1-3H3,(H,34,37).
What are the key properties of tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate has a molecular weight of 505.62 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 66665928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).