tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C73H86BrCl6N15O4S3 — CID 157386835

About tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 157386835) has the molecular formula C73H86BrCl6N15O4S3 and a molecular weight of 1626.41 g/mol. Its IUPAC name is tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 157386835
• Molecular Formula: C73H86BrCl6N15O4S3
• Molecular Weight: 1626.41 g/mol
• Exact Mass: 1621.35
• IUPAC Name: tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
• SMILES: CC(C)(C)OC(=O)N[C@@H]1CCCC12CCN(c1ncc(Br)c3nccn13)CC2.CC(C)(C)OC(=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.Sc1cccc(Cl)c1Cl
• InChI: InChI=1S/C26H31Cl2N5O2S.C21H23Cl2N5S.C20H28BrN5O2.C6H4Cl2S/c1-25(2,3)35-24(34)31-20-8-5-9-26(20)10-13-32(14-11-26)23-30-16-19(22-29-12-15-33(22)23)36-18-7-4-6-17(27)21(18)28;22-14-3-1-4-15(18(14)23)29-16-13-26-20(28-12-9-25-19(16)28)27-10-7-21(8-11-27)6-2-5-17(21)24;1-19(2,3)28-18(27)24-15-5-4-6-20(15)7-10-25(11-8-20)17-23-13-14(21)16-22-9-12-26(16)17;7-4-2-1-3-5(9)6(4)8/h4,6-7,12,15-16,20H,5,8-11,13-14H2,1-3H3,(H,31,34);1,3-4,9,12-13,17H,2,5-8,10-11,24H2;9,12-13,15H,4-8,10-11H2,1-3H3,(H,24,27);1-3,9H/t20-;17-;15-;/m111./s1
• InChIKey: BLNOCBWNVZZTIH-COQXHIEKSA-N
• XLogP: 19.57
• TPSA: 202.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1626.41
LogP ≤ 5	19.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 157386835) is tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is CC(C)(C)OC(=O)N[C@@H]1CCCC12CCN(c1ncc(Br)c3nccn13)CC2.CC(C)(C)OC(=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.Sc1cccc(Cl)c1Cl.

What is the InChIKey of tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The InChIKey is BLNOCBWNVZZTIH-COQXHIEKSA-N. The full InChI is InChI=1S/C26H31Cl2N5O2S.C21H23Cl2N5S.C20H28BrN5O2.C6H4Cl2S/c1-25(2,3)35-24(34)31-20-8-5-9-26(20)10-13-32(14-11-26)23-30-16-19(22-29-12-15-33(22)23)36-18-7-4-6-17(27)21(18)28;22-14-3-1-4-15(18(14)23)29-16-13-26-20(28-12-9-25-19(16)28)27-10-7-21(8-11-27)6-2-5-17(21)24;1-19(2,3)28-18(27)24-15-5-4-6-20(15)7-10-25(11-8-20)17-23-13-14(21)16-22-9-12-26(16)17;7-4-2-1-3-5(9)6(4)8/h4,6-7,12,15-16,20H,5,8-11,13-14H2,1-3H3,(H,31,34);1,3-4,9,12-13,17H,2,5-8,10-11,24H2;9,12-13,15H,4-8,10-11H2,1-3H3,(H,24,27);1-3,9H/t20-;17-;15-;/m111./s1.

What are the key properties of tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 1626.41 g/mol, XLogP of 19.57, 9 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate;2,3-dichlorobenzenethiol;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 157386835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).