3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile

C23H25N5O2S — CID 24855889

IUPAC3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile
SMILESCn1cc(C[C@H]2COCCN2c2nc3c(s2)C(=O)NC(C)(C)C3)c2cc(C#N)ccc21
InChIInChI=1S/C23H25N5O2S/c1-23(2)10-18-20(21(29)26-23)31-22(25-18)28-6-7-30-13-16(28)9-15-12-27(3)19-5-4-14(11-24)8-17(15)19/h4-5,8,12,16H,6-7,9-10,13H2,1-3H3,(H,26,29)/t16-/m0/s1
InChIKeyUBZDDEORUSXHDB-INIZCTEOSA-N
MW435.55 g/mol
LogP3.02
Rot. Bonds3

About 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile

3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile (PubChem CID 24855889) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile
PubChem CID24855889
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile
SMILESCn1cc(C[C@H]2COCCN2c2nc3c(s2)C(=O)NC(C)(C)C3)c2cc(C#N)ccc21
InChIInChI=1S/C23H25N5O2S/c1-23(2)10-18-20(21(29)26-23)31-22(25-18)28-6-7-30-13-16(28)9-15-12-27(3)19-5-4-14(11-24)8-17(15)19/h4-5,8,12,16H,6-7,9-10,13H2,1-3H3,(H,26,29)/t16-/m0/s1
InChIKeyUBZDDEORUSXHDB-INIZCTEOSA-N
XLogP3.02
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile?
The IUPAC name of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile (CID 24855889) is 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile.
What is the SMILES notation for 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile?
The canonical SMILES for 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile is Cn1cc(C[C@H]2COCCN2c2nc3c(s2)C(=O)NC(C)(C)C3)c2cc(C#N)ccc21.
What is the InChIKey of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile?
The InChIKey is UBZDDEORUSXHDB-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-23(2)10-18-20(21(29)26-23)31-22(25-18)28-6-7-30-13-16(28)9-15-12-27(3)19-5-4-14(11-24)8-17(15)19/h4-5,8,12,16H,6-7,9-10,13H2,1-3H3,(H,26,29)/t16-/m0/s1.
What are the key properties of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile?
3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile has a molecular weight of 435.55 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-methylindole-5-carbonitrile is sourced from PubChem (CID 24855889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).