N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride

C24H28Cl2N8O5S — CID 66621571

IUPACN'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@@H]3[C@@H](NC(=O)C(=O)Nc4ccc(Cl)cn4)CCN(N(C)C)C34C(=O)C4=O)sc2C1.Cl
InChIInChI=1S/C24H27ClN8O5S.ClH/c1-31(2)33-9-7-14(27-20(36)21(37)29-16-5-4-12(25)10-26-16)17(24(33)18(34)19(24)35)30-22(38)23-28-13-6-8-32(3)11-15(13)39-23;/h4-5,10,14,17H,6-9,11H2,1-3H3,(H,27,36)(H,30,38)(H,26,29,37);1H/t14-,17+;/m0./s1
InChIKeyHNFGECBKDKWFCT-SQQLFYIASA-N
MW611.51 g/mol
LogP-0.10
Rot. Bonds5

About N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride

N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride (PubChem CID 66621571) has the molecular formula C24H28Cl2N8O5S and a molecular weight of 611.51 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride
PubChem CID66621571
Molecular FormulaC24H28Cl2N8O5S
Molecular Weight611.51 g/mol
Exact Mass610.13
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@@H]3[C@@H](NC(=O)C(=O)Nc4ccc(Cl)cn4)CCN(N(C)C)C34C(=O)C4=O)sc2C1.Cl
InChIInChI=1S/C24H27ClN8O5S.ClH/c1-31(2)33-9-7-14(27-20(36)21(37)29-16-5-4-12(25)10-26-16)17(24(33)18(34)19(24)35)30-22(38)23-28-13-6-8-32(3)11-15(13)39-23;/h4-5,10,14,17H,6-9,11H2,1-3H3,(H,27,36)(H,30,38)(H,26,29,37);1H/t14-,17+;/m0./s1
InChIKeyHNFGECBKDKWFCT-SQQLFYIASA-N
XLogP-0.10
TPSA156.94 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.51
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride with MolForge

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Related Compounds

N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride
CID 69012003
N'-(5-chloro-2-pyridinyl)-N-[(1S,2R)-4-(dimethylcarbamothioyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
CID 88880390
N'-(5-chloro-2-pyridinyl)-N-[4-[dimethylamino(methoxy)methyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
CID 123688519
N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-prop-2-enylpiperidin-4-yl]oxamide
CID 11964555
N-[(1S,2R)-4-(2-amino-2-methylpropanoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]-N'-(5-chloro-2-pyridinyl)oxamide
CID 70648515
N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide
CID 11965177
ethyl (1S,3R,4S)-4-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 25133788
N'-(5-chloro-2-pyridinyl)-N-[(1S,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide;4-methylbenzenesulfonic acid;hydrate
CID 25104019
methyl (3R,4S)-4-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethanethioyl]amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 11965257
N'-(4-chlorophenyl)-N-[(1R,2R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cycloheptyl]oxamide
CID 67056458
N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide
CID 58893955
N-[(1R,2S,5S)-2-[[1-amino-2-[(5-chloro-2-pyridinyl)amino]-2-sulfanylideneethylidene]amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 163935956

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride (CID 66621571) is N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride is CN1CCc2nc(C(=O)N[C@@H]3[C@@H](NC(=O)C(=O)Nc4ccc(Cl)cn4)CCN(N(C)C)C34C(=O)C4=O)sc2C1.Cl.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride?
The InChIKey is HNFGECBKDKWFCT-SQQLFYIASA-N. The full InChI is InChI=1S/C24H27ClN8O5S.ClH/c1-31(2)33-9-7-14(27-20(36)21(37)29-16-5-4-12(25)10-26-16)17(24(33)18(34)19(24)35)30-22(38)23-28-13-6-8-32(3)11-15(13)39-23;/h4-5,10,14,17H,6-9,11H2,1-3H3,(H,27,36)(H,30,38)(H,26,29,37);1H/t14-,17+;/m0./s1.
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride?
N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride has a molecular weight of 611.51 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[(7S,8R)-4-(dimethylamino)-8-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1,2-dioxo-4-azaspiro[2.5]octan-7-yl]oxamide;hydrochloride is sourced from PubChem (CID 66621571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).