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

C29H34N6O3S — CID 146535971

About 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

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 (PubChem CID 146535971) has the molecular formula C29H34N6O3S and a molecular weight of 546.70 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 146535971
• Molecular Formula: C29H34N6O3S
• Molecular Weight: 546.70 g/mol
• Exact Mass: 546.24
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cc(=O)[nH]c4ccccc34)c3nccn13)CC2
• InChI: InChI=1S/C29H34N6O3S/c1-28(2,3)38-27(37)33-23-9-6-10-29(23)11-14-34(15-12-29)26-31-18-22(25-30-13-16-35(25)26)39-21-17-24(36)32-20-8-5-4-7-19(20)21/h4-5,7-8,13,16-18,23H,6,9-12,14-15H2,1-3H3,(H,32,36)(H,33,37)/t23-/m1/s1
• InChIKey: IVSNVZXXVCNGHF-HSZRJFAPSA-N
• XLogP: 5.39
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.70
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cc(=O)[nH]c4ccccc34)c3nccn13)CC2.

What is the InChIKey of 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?

The InChIKey is IVSNVZXXVCNGHF-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H34N6O3S/c1-28(2,3)38-27(37)33-23-9-6-10-29(23)11-14-34(15-12-29)26-31-18-22(25-30-13-16-35(25)26)39-21-17-24(36)32-20-8-5-4-7-19(20)21/h4-5,7-8,13,16-18,23H,6,9-12,14-15H2,1-3H3,(H,32,36)(H,33,37)/t23-/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 546.70 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 146535971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).