lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride

C23H27ClLiN5O2S — CID 173052136

IUPAClithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride
SMILESCN1CCc2nc(C(=O)NC3(C(=O)c4cc5cc(Cl)ccc5[nH]4)CCCCC3N)sc2C1.[H-].[Li+]
InChIInChI=1S/C23H26ClN5O2S.Li.H/c1-29-9-7-16-18(12-29)32-22(27-16)21(31)28-23(8-3-2-4-19(23)25)20(30)17-11-13-10-14(24)5-6-15(13)26-17;;/h5-6,10-11,19,26H,2-4,7-9,12,25H2,1H3,(H,28,31);;/q;+1;-1
InChIKeyRRLSNRGWRHHQBB-UHFFFAOYSA-N
MW479.96 g/mol
LogP0.63
Rot. Bonds4

About lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride

lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride (PubChem CID 173052136) has the molecular formula C23H27ClLiN5O2S and a molecular weight of 479.96 g/mol. Its IUPAC name is lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride.

Molecular Properties

Compound Namelithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride
PubChem CID173052136
Molecular FormulaC23H27ClLiN5O2S
Molecular Weight479.96 g/mol
Exact Mass479.17
IUPAC Namelithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride
SMILESCN1CCc2nc(C(=O)NC3(C(=O)c4cc5cc(Cl)ccc5[nH]4)CCCCC3N)sc2C1.[H-].[Li+]
InChIInChI=1S/C23H26ClN5O2S.Li.H/c1-29-9-7-16-18(12-29)32-22(27-16)21(31)28-23(8-3-2-4-19(23)25)20(30)17-11-13-10-14(24)5-6-15(13)26-17;;/h5-6,10-11,19,26H,2-4,7-9,12,25H2,1H3,(H,28,31);;/q;+1;-1
InChIKeyRRLSNRGWRHHQBB-UHFFFAOYSA-N
XLogP0.63
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.96
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride?
The IUPAC name of lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride (CID 173052136) is lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride.
What is the SMILES notation for lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride?
The canonical SMILES for lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride is CN1CCc2nc(C(=O)NC3(C(=O)c4cc5cc(Cl)ccc5[nH]4)CCCCC3N)sc2C1.[H-].[Li+].
What is the InChIKey of lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride?
The InChIKey is RRLSNRGWRHHQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2S.Li.H/c1-29-9-7-16-18(12-29)32-22(27-16)21(31)28-23(8-3-2-4-19(23)25)20(30)17-11-13-10-14(24)5-6-15(13)26-17;;/h5-6,10-11,19,26H,2-4,7-9,12,25H2,1H3,(H,28,31);;/q;+1;-1.
What are the key properties of lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride?
lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride has a molecular weight of 479.96 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride is sourced from PubChem (CID 173052136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).