[(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone

C17H23N5O2S — CID 124806638

IUPAC[(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
SMILESCc1ncsc1CN1Cc2ncn(C)c2[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H23N5O2S/c1-12-15(25-11-19-12)9-21-7-13(16-14(8-21)18-10-20(16)2)17(23)22-3-5-24-6-4-22/h10-11,13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyBHFGJURWXUIZKR-ZDUSSCGKSA-N
MW361.47 g/mol
LogP1.14
Rot. Bonds3

About [(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone

[(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone (PubChem CID 124806638) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is [(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
PubChem CID124806638
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name[(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
SMILESCc1ncsc1CN1Cc2ncn(C)c2[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H23N5O2S/c1-12-15(25-11-19-12)9-21-7-13(16-14(8-21)18-10-20(16)2)17(23)22-3-5-24-6-4-22/h10-11,13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyBHFGJURWXUIZKR-ZDUSSCGKSA-N
XLogP1.14
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[(7R)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-piperidin-1-ylmethanone
CID 124807668
3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one
CID 70725890
azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid
CID 155864440
(6S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 125025309
azetidin-1-yl-[(7S)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 124810347
[5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155863348
3-[(3R,4S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72853049
2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 124811729
(3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155862320
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131643863
N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide
CID 110107450

Frequently Asked Questions

What is the IUPAC name of [(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone (CID 124806638) is [(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone is Cc1ncsc1CN1Cc2ncn(C)c2[C@@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of [(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is BHFGJURWXUIZKR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12-15(25-11-19-12)9-21-7-13(16-14(8-21)18-10-20(16)2)17(23)22-3-5-24-6-4-22/h10-11,13H,3-9H2,1-2H3/t13-/m0/s1.
What are the key properties of [(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone?
[(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 361.47 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 124806638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).