1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine

C119H117Cl6N39O6S5 — CID 165016491

About 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine

1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (PubChem CID 165016491) has the molecular formula C119H117Cl6N39O6S5 and a molecular weight of 2562.56 g/mol. Its IUPAC name is 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.

Molecular Properties

• Compound Name: 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
• PubChem CID: 165016491
• Molecular Formula: C119H117Cl6N39O6S5
• Molecular Weight: 2562.56 g/mol
• Exact Mass: 2557.68
• IUPAC Name: 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
• SMILES: Cc1nc(N2CCC3(CC2)Oc2ccccc2C3N)n2cc(CO)nc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2cnccc2C3N)n2c(CO)cnc2c1Sc1ccnc(N)c1Cl.N#Cc1nc(N2CCC3(CC2)Cc2ncccc2C3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)Oc2ccccc2C3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.Nc1nccc(Sc2c(N)nc(N3CCC4(CC3)Oc3cnccc3C4N)n3ccnc23)c1Cl
• InChI: InChI=1S/C25H26ClN7O2S.C24H22Cl2N6OS.C24H22ClN9S.C24H25ClN8O2S.C22H22ClN9OS/c1-14-20(36-18-6-9-29-22(28)19(18)26)23-31-15(13-34)12-33(23)24(30-14)32-10-7-25(8-11-32)21(27)16-4-2-3-5-17(16)35-25;25-15-5-3-7-17(18(15)26)34-19-21(28)30-23(32-13-10-29-22(19)32)31-11-8-24(9-12-31)20(27)14-4-1-2-6-16(14)33-24;25-18-17(3-7-30-21(18)28)35-19-16(13-26)32-23(34-11-8-31-22(19)34)33-9-4-24(5-10-33)12-15-14(20(24)27)2-1-6-29-15;1-13-19(36-17-3-7-29-21(27)18(17)25)22-30-10-14(12-34)33(22)23(31-13)32-8-4-24(5-9-32)20(26)15-2-6-28-11-16(15)35-24;23-15-14(2-6-28-18(15)25)34-16-19(26)30-21(32-10-7-29-20(16)32)31-8-3-22(4-9-31)17(24)12-1-5-27-11-13(12)33-22/h2-6,9,12,21,34H,7-8,10-11,13,27H2,1H3,(H2,28,29);1-7,10,13,20H,8-9,11-12,27-28H2;1-3,6-8,11,20H,4-5,9-10,12,27H2,(H2,28,30);2-3,6-7,10-11,20,34H,4-5,8-9,12,26H2,1H3,(H2,27,29);1-2,5-7,10-11,17H,3-4,8-9,24,26H2,(H2,25,28)
• InChIKey: KMQZXVCRYMEKEI-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 644.77 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 50
• Rotatable Bonds: 17
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2562.56
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?

The IUPAC name of 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (CID 165016491) is 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.

What is the SMILES notation for 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?

The canonical SMILES for 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is Cc1nc(N2CCC3(CC2)Oc2ccccc2C3N)n2cc(CO)nc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2cnccc2C3N)n2c(CO)cnc2c1Sc1ccnc(N)c1Cl.N#Cc1nc(N2CCC3(CC2)Cc2ncccc2C3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)Oc2ccccc2C3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.Nc1nccc(Sc2c(N)nc(N3CCC4(CC3)Oc3cnccc3C4N)n3ccnc23)c1Cl.

What is the InChIKey of 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?

The InChIKey is KMQZXVCRYMEKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O2S.C24H22Cl2N6OS.C24H22ClN9S.C24H25ClN8O2S.C22H22ClN9OS/c1-14-20(36-18-6-9-29-22(28)19(18)26)23-31-15(13-34)12-33(23)24(30-14)32-10-7-25(8-11-32)21(27)16-4-2-3-5-17(16)35-25;25-15-5-3-7-17(18(15)26)34-19-21(28)30-23(32-13-10-29-22(19)32)31-11-8-24(9-12-31)20(27)14-4-1-2-6-16(14)33-24;25-18-17(3-7-30-21(18)28)35-19-16(13-26)32-23(34-11-8-31-22(19)34)33-9-4-24(5-10-33)12-15-14(20(24)27)2-1-6-29-15;1-13-19(36-17-3-7-29-21(27)18(17)25)22-30-10-14(12-34)33(22)23(31-13)32-8-4-24(5-9-32)20(26)15-2-6-28-11-16(15)35-24;23-15-14(2-6-28-18(15)25)34-16-19(26)30-21(32-10-7-29-20(16)32)31-8-3-22(4-9-31)17(24)12-1-5-27-11-13(12)33-22/h2-6,9,12,21,34H,7-8,10-11,13,27H2,1H3,(H2,28,29);1-7,10,13,20H,8-9,11-12,27-28H2;1-3,6-8,11,20H,4-5,9-10,12,27H2,(H2,28,30);2-3,6-7,10-11,20,34H,4-5,8-9,12,26H2,1H3,(H2,27,29);1-2,5-7,10-11,17H,3-4,8-9,24,26H2,(H2,25,28).

What are the key properties of 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?

1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine has a molecular weight of 2562.56 g/mol, XLogP of 18.62, 17 rotatable bonds, 13 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl)imidazo[1,2-c]pyrimidine-7-carbonitrile;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is sourced from PubChem (CID 165016491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).