tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate

C26H30Cl3N5O2 — CID 146535877

IUPACtert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCC12CCN(c1nc(Cl)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C26H30Cl3N5O2/c1-25(2,3)36-24(35)31-18-8-5-9-26(18)10-13-33(14-11-26)23-32-21(29)19(22-30-12-15-34(22)23)16-6-4-7-17(27)20(16)28/h4,6-7,12,15,18H,5,8-11,13-14H2,1-3H3,(H,31,35)/t18-/m1/s1
InChIKeyASIZUFGAAAYLHL-GOSISDBHSA-N
MW550.92 g/mol
LogP7.02
Rot. Bonds3

About tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate

tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate (PubChem CID 146535877) has the molecular formula C26H30Cl3N5O2 and a molecular weight of 550.92 g/mol. Its IUPAC name is tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate
PubChem CID146535877
Molecular FormulaC26H30Cl3N5O2
Molecular Weight550.92 g/mol
Exact Mass549.15
IUPAC Nametert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCC12CCN(c1nc(Cl)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C26H30Cl3N5O2/c1-25(2,3)36-24(35)31-18-8-5-9-26(18)10-13-33(14-11-26)23-32-21(29)19(22-30-12-15-34(22)23)16-6-4-7-17(27)20(16)28/h4,6-7,12,15,18H,5,8-11,13-14H2,1-3H3,(H,31,35)/t18-/m1/s1
InChIKeyASIZUFGAAAYLHL-GOSISDBHSA-N
XLogP7.02
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.92
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 146466905
6-(2,3-dichlorophenyl)-5-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxylic acid
CID 138735000
tert-butyl N-[(4R)-8-imidazo[1,2-c]pyrimidin-5-yl-8-azaspiro[4.5]decan-4-yl]carbamate
CID 153474479
tert-butyl N-[(4R)-8-[5-(2,3-dichlorophenyl)-3-[methoxy(methyl)carbamoyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]carbamate
CID 134183164
tert-butyl N-[(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate
CID 146535886
CID 157232971
CID 157232971
(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane
CID 161290928
methyl 6-(2,3-dichlorophenyl)sulfanyl-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-2-carboxylate
CID 153313118
tert-butyl N-[(4R)-8-[8-[(2-oxo-1H-quinolin-4-yl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate
CID 146535971
N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 155408810
tert-butyl N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-2-(hydroxymethyl)-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]carbamate
CID 135255026
(3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
CID 156704430

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate (CID 146535877) is tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCC12CCN(c1nc(Cl)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate?
The InChIKey is ASIZUFGAAAYLHL-GOSISDBHSA-N. The full InChI is InChI=1S/C26H30Cl3N5O2/c1-25(2,3)36-24(35)31-18-8-5-9-26(18)10-13-33(14-11-26)23-32-21(29)19(22-30-12-15-34(22)23)16-6-4-7-17(27)20(16)28/h4,6-7,12,15,18H,5,8-11,13-14H2,1-3H3,(H,31,35)/t18-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate?
tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate has a molecular weight of 550.92 g/mol, XLogP of 7.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate is sourced from PubChem (CID 146535877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).