N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide

C26H29N7O2S — CID 146466883

About N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide

N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide (PubChem CID 146466883) has the molecular formula C26H29N7O2S and a molecular weight of 503.63 g/mol. Its IUPAC name is N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide
• PubChem CID: 146466883
• Molecular Formula: C26H29N7O2S
• Molecular Weight: 503.63 g/mol
• Exact Mass: 503.21
• IUPAC Name: N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide
• SMILES: CC(=O)Nc1cccc2c(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)n4ccnc34)ccnc12
• InChI: InChI=1S/C26H29N7O2S/c1-16-23(27)26(15-35-16)7-11-32(12-8-26)25-30-14-21(24-29-10-13-33(24)25)36-20-6-9-28-22-18(20)4-3-5-19(22)31-17(2)34/h3-6,9-10,13-14,16,23H,7-8,11-12,15,27H2,1-2H3,(H,31,34)/t16-,23+/m0/s1
• InChIKey: MUZKULIVQSHWRS-QMHKHESXSA-N
• XLogP: 3.72
• TPSA: 110.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.63
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide?

The IUPAC name of N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide (CID 146466883) is N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide.

What is the SMILES notation for N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide?

The canonical SMILES for N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide is CC(=O)Nc1cccc2c(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)n4ccnc34)ccnc12.

What is the InChIKey of N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide?

The InChIKey is MUZKULIVQSHWRS-QMHKHESXSA-N. The full InChI is InChI=1S/C26H29N7O2S/c1-16-23(27)26(15-35-16)7-11-32(12-8-26)25-30-14-21(24-29-10-13-33(24)25)36-20-6-9-28-22-18(20)4-3-5-19(22)31-17(2)34/h3-6,9-10,13-14,16,23H,7-8,11-12,15,27H2,1-2H3,(H,31,34)/t16-,23+/m0/s1.

What are the key properties of N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide?

N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide has a molecular weight of 503.63 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide is sourced from PubChem (CID 146466883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).