N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C64H66Cl2N16O7S3 — CID 158373593

About N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 158373593) has the molecular formula C64H66Cl2N16O7S3 and a molecular weight of 1338.44 g/mol. Its IUPAC name is N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 158373593
• Molecular Formula: C64H66Cl2N16O7S3
• Molecular Weight: 1338.44 g/mol
• Exact Mass: 1336.38
• IUPAC Name: N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• SMILES: CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(NC(=O)c4c(O)nc5ccccn5c4=O)c3Cl)c3nccn13)CC2.N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(NC(=O)c4c(O)nc5ccccn5c4=O)c3Cl)c3nccn13)CC2
• InChI: InChI=1S/C34H37ClN8O4S2.C30H29ClN8O3S/c1-33(2,3)49(47)40-24-10-7-12-34(24)13-17-41(18-14-34)32-37-20-23(28-36-15-19-43(28)32)48-22-9-6-8-21(27(22)35)38-29(44)26-30(45)39-25-11-4-5-16-42(25)31(26)46;31-24-18(35-26(40)23-27(41)36-22-8-1-2-13-38(22)28(23)42)5-3-6-19(24)43-20-17-34-29(39-16-12-33-25(20)39)37-14-10-30(11-15-37)9-4-7-21(30)32/h4-6,8-9,11,15-16,19-20,24,40,45H,7,10,12-14,17-18H2,1-3H3,(H,38,44);1-3,5-6,8,12-13,16-17,21,41H,4,7,9-11,14-15,32H2,(H,35,40)/t24-,49-;21-/m11/s1
• InChIKey: GUXPTFLMHWYURO-FCCWENJQSA-N
• XLogP: 10.29
• TPSA: 289.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1338.44
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 158373593) is N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(NC(=O)c4c(O)nc5ccccn5c4=O)c3Cl)c3nccn13)CC2.N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(NC(=O)c4c(O)nc5ccccn5c4=O)c3Cl)c3nccn13)CC2.

What is the InChIKey of N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is GUXPTFLMHWYURO-FCCWENJQSA-N. The full InChI is InChI=1S/C34H37ClN8O4S2.C30H29ClN8O3S/c1-33(2,3)49(47)40-24-10-7-12-34(24)13-17-41(18-14-34)32-37-20-23(28-36-15-19-43(28)32)48-22-9-6-8-21(27(22)35)38-29(44)26-30(45)39-25-11-4-5-16-42(25)31(26)46;31-24-18(35-26(40)23-27(41)36-22-8-1-2-13-38(22)28(23)42)5-3-6-19(24)43-20-17-34-29(39-16-12-33-25(20)39)37-14-10-30(11-15-37)9-4-7-21(30)32/h4-6,8-9,11,15-16,19-20,24,40,45H,7,10,12-14,17-18H2,1-3H3,(H,38,44);1-3,5-6,8,12-13,16-17,21,41H,4,7,9-11,14-15,32H2,(H,35,40)/t24-,49-;21-/m11/s1.

What are the key properties of N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 1338.44 g/mol, XLogP of 10.29, 12 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158373593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).