4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine

C20H24N6S — CID 176678387

IUPAC4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine
SMILESCc1c[nH]c2nccc(N3C=C(c4cnc([C@@H]5CCCNC5)[nH]4)SCC3)c12
InChIInChI=1S/C20H24N6S/c1-13-9-23-20-18(13)16(4-6-22-20)26-7-8-27-17(12-26)15-11-24-19(25-15)14-3-2-5-21-10-14/h4,6,9,11-12,14,21H,2-3,5,7-8,10H2,1H3,(H,22,23)(H,24,25)/t14-/m1/s1
InChIKeyIIRBERYPBNGNMH-CQSZACIVSA-N
MW380.52 g/mol
LogP3.61
Rot. Bonds3

About 4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine

4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine (PubChem CID 176678387) has the molecular formula C20H24N6S and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine.

Molecular Properties

Compound Name4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine
PubChem CID176678387
Molecular FormulaC20H24N6S
Molecular Weight380.52 g/mol
Exact Mass380.18
IUPAC Name4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine
SMILESCc1c[nH]c2nccc(N3C=C(c4cnc([C@@H]5CCCNC5)[nH]4)SCC3)c12
InChIInChI=1S/C20H24N6S/c1-13-9-23-20-18(13)16(4-6-22-20)26-7-8-27-17(12-26)15-11-24-19(25-15)14-3-2-5-21-10-14/h4,6,9,11-12,14,21H,2-3,5,7-8,10H2,1H3,(H,22,23)(H,24,25)/t14-/m1/s1
InChIKeyIIRBERYPBNGNMH-CQSZACIVSA-N
XLogP3.61
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine with MolForge

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Related Compounds

azepane;4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
CID 176678173
N-(2-aminocyclohexyl)-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
CID 176678294
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650985
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650991
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43651028
3-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 43651004
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651037
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100
5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 171688131
3-(1H-imidazol-2-yl)piperidine
CID 13281195
2,3-dimethyl-4-piperidin-3-ylpyridine
CID 84662825
5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84656984

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine?
The IUPAC name of 4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine (CID 176678387) is 4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine.
What is the SMILES notation for 4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine?
The canonical SMILES for 4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine is Cc1c[nH]c2nccc(N3C=C(c4cnc([C@@H]5CCCNC5)[nH]4)SCC3)c12.
What is the InChIKey of 4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine?
The InChIKey is IIRBERYPBNGNMH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N6S/c1-13-9-23-20-18(13)16(4-6-22-20)26-7-8-27-17(12-26)15-11-24-19(25-15)14-3-2-5-21-10-14/h4,6,9,11-12,14,21H,2-3,5,7-8,10H2,1H3,(H,22,23)(H,24,25)/t14-/m1/s1.
What are the key properties of 4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine?
4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine has a molecular weight of 380.52 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-[(3R)-piperidin-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1,4-thiazine is sourced from PubChem (CID 176678387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).