5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide

C23H26ClN5O3S — CID 67187078

IUPAC5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide
SMILESCNC(=O)c1cc(Cl)cc2c(C[C@H]3COCCN3c3nc4c(s3)C(=O)NC(C)(C)C4)c[nH]c12
InChIInChI=1S/C23H26ClN5O3S/c1-23(2)9-17-19(21(31)28-23)33-22(27-17)29-4-5-32-11-14(29)6-12-10-26-18-15(12)7-13(24)8-16(18)20(30)25-3/h7-8,10,14,26H,4-6,9,11H2,1-3H3,(H,25,30)(H,28,31)/t14-/m0/s1
InChIKeyLDYURIXTETUFAX-AWEZNQCLSA-N
MW488.01 g/mol
LogP3.15
Rot. Bonds4

About 5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide

5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide (PubChem CID 67187078) has the molecular formula C23H26ClN5O3S and a molecular weight of 488.01 g/mol. Its IUPAC name is 5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide
PubChem CID67187078
Molecular FormulaC23H26ClN5O3S
Molecular Weight488.01 g/mol
Exact Mass487.14
IUPAC Name5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide
SMILESCNC(=O)c1cc(Cl)cc2c(C[C@H]3COCCN3c3nc4c(s3)C(=O)NC(C)(C)C4)c[nH]c12
InChIInChI=1S/C23H26ClN5O3S/c1-23(2)9-17-19(21(31)28-23)33-22(27-17)29-4-5-32-11-14(29)6-12-10-26-18-15(12)7-13(24)8-16(18)20(30)25-3/h7-8,10,14,26H,4-6,9,11H2,1-3H3,(H,25,30)(H,28,31)/t14-/m0/s1
InChIKeyLDYURIXTETUFAX-AWEZNQCLSA-N
XLogP3.15
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide?
The IUPAC name of 5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide (CID 67187078) is 5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide.
What is the SMILES notation for 5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide?
The canonical SMILES for 5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide is CNC(=O)c1cc(Cl)cc2c(C[C@H]3COCCN3c3nc4c(s3)C(=O)NC(C)(C)C4)c[nH]c12.
What is the InChIKey of 5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide?
The InChIKey is LDYURIXTETUFAX-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H26ClN5O3S/c1-23(2)9-17-19(21(31)28-23)33-22(27-17)29-4-5-32-11-14(29)6-12-10-26-18-15(12)7-13(24)8-16(18)20(30)25-3/h7-8,10,14,26H,4-6,9,11H2,1-3H3,(H,25,30)(H,28,31)/t14-/m0/s1.
What are the key properties of 5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide?
5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide has a molecular weight of 488.01 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-methyl-1H-indole-7-carboxamide is sourced from PubChem (CID 67187078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).