3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C93H106Cl4N38O14S — CID 160801891

IUPAC3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2)c1ccccc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CC(=O)N(Cc5ccco5)C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)c4ccn(S(=O)(=O)c5ccccc5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(-n5cccn5)nc4)CC3)N2)nc1Cl
InChIInChI=1S/C26H28ClN9O5S.C24H30ClN9O3.C22H26ClN9O4.C21H22ClN11O2/c27-21-23(29)32-22(28)20(31-21)24(39)33-25-30-15-26(34-25)9-12-35(13-10-26)19(38)7-6-18(37)16-8-11-36(14-16)42(40,41)17-4-2-1-3-5-17;1-14(15-5-3-2-4-6-15)29-16(35)7-8-17(36)34-11-9-24(10-12-34)13-28-23(33-24)32-22(37)18-20(26)31-21(27)19(25)30-18;23-16-18(25)28-17(24)15(27-16)19(34)29-21-26-11-22(30-21)3-5-31(6-4-22)20(35)12-8-14(33)32(9-12)10-13-2-1-7-36-13;22-15-17(24)29-16(23)14(28-15)18(34)30-20-26-11-21(31-20)4-8-32(9-5-21)19(35)12-2-3-13(25-10-12)33-7-1-6-27-33/h1-5,8,11,14H,6-7,9-10,12-13,15H2,(H4,28,29,32)(H2,30,33,34,39);2-6,14H,7-13H2,1H3,(H,29,35)(H4,26,27,31)(H2,28,32,33,37);1-2,7,12H,3-6,8-11H2,(H4,24,25,28)(H2,26,29,30,34);1-3,6-7,10H,4-5,8-9,11H2,(H4,23,24,29)(H2,26,30,31,34)/t;14-;;/m.1../s1
InChIKeySDEJEGBWZLADOM-BHHCLOTLSA-N
MW2154.00 g/mol
LogP2.27
Rot. Bonds20

About 3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 160801891) has the molecular formula C93H106Cl4N38O14S and a molecular weight of 2154.00 g/mol. Its IUPAC name is 3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
PubChem CID160801891
Molecular FormulaC93H106Cl4N38O14S
Molecular Weight2154.00 g/mol
Exact Mass2150.72
IUPAC Name3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2)c1ccccc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CC(=O)N(Cc5ccco5)C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)c4ccn(S(=O)(=O)c5ccccc5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(-n5cccn5)nc4)CC3)N2)nc1Cl
InChIInChI=1S/C26H28ClN9O5S.C24H30ClN9O3.C22H26ClN9O4.C21H22ClN11O2/c27-21-23(29)32-22(28)20(31-21)24(39)33-25-30-15-26(34-25)9-12-35(13-10-26)19(38)7-6-18(37)16-8-11-36(14-16)42(40,41)17-4-2-1-3-5-17;1-14(15-5-3-2-4-6-15)29-16(35)7-8-17(36)34-11-9-24(10-12-34)13-28-23(33-24)32-22(37)18-20(26)31-21(27)19(25)30-18;23-16-18(25)28-17(24)15(27-16)19(34)29-21-26-11-22(30-21)3-5-31(6-4-22)20(35)12-8-14(33)32(9-12)10-13-2-1-7-36-13;22-15-17(24)29-16(23)14(28-15)18(34)30-20-26-11-21(31-20)4-8-32(9-5-21)19(35)12-2-3-13(25-10-12)33-7-1-6-27-33/h1-5,8,11,14H,6-7,9-10,12-13,15H2,(H4,28,29,32)(H2,30,33,34,39);2-6,14H,7-13H2,1H3,(H,29,35)(H4,26,27,31)(H2,28,32,33,37);1-2,7,12H,3-6,8-11H2,(H4,24,25,28)(H2,26,29,30,34);1-3,6-7,10H,4-5,8-9,11H2,(H4,23,24,29)(H2,26,30,31,34)/t;14-;;/m.1../s1
InChIKeySDEJEGBWZLADOM-BHHCLOTLSA-N
XLogP2.27
TPSA755.88 Ų
H-Bond Donors17
H-Bond Acceptors42
Rotatable Bonds20
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002154.00
LogP ≤ 52.27
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1042

Analyze 3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 160801891) is 3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is C[C@@H](NC(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2)c1ccccc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CC(=O)N(Cc5ccco5)C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)c4ccn(S(=O)(=O)c5ccccc5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(-n5cccn5)nc4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is SDEJEGBWZLADOM-BHHCLOTLSA-N. The full InChI is InChI=1S/C26H28ClN9O5S.C24H30ClN9O3.C22H26ClN9O4.C21H22ClN11O2/c27-21-23(29)32-22(28)20(31-21)24(39)33-25-30-15-26(34-25)9-12-35(13-10-26)19(38)7-6-18(37)16-8-11-36(14-16)42(40,41)17-4-2-1-3-5-17;1-14(15-5-3-2-4-6-15)29-16(35)7-8-17(36)34-11-9-24(10-12-34)13-28-23(33-24)32-22(37)18-20(26)31-21(27)19(25)30-18;23-16-18(25)28-17(24)15(27-16)19(34)29-21-26-11-22(30-21)3-5-31(6-4-22)20(35)12-8-14(33)32(9-12)10-13-2-1-7-36-13;22-15-17(24)29-16(23)14(28-15)18(34)30-20-26-11-21(31-20)4-8-32(9-5-21)19(35)12-2-3-13(25-10-12)33-7-1-6-27-33/h1-5,8,11,14H,6-7,9-10,12-13,15H2,(H4,28,29,32)(H2,30,33,34,39);2-6,14H,7-13H2,1H3,(H,29,35)(H4,26,27,31)(H2,28,32,33,37);1-2,7,12H,3-6,8-11H2,(H4,24,25,28)(H2,26,29,30,34);1-3,6-7,10H,4-5,8-9,11H2,(H4,23,24,29)(H2,26,30,31,34)/t;14-;;/m.1../s1.
What are the key properties of 3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 2154.00 g/mol, XLogP of 2.27, 20 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 160801891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).