[4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone

C23H24N4O2S — CID 24992437

IUPAC[4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C)C=CC(c2cnc3[nH]cc(-c4csc(C(=O)N5CCOCC5)n4)c3c2)=CC1
InChIInChI=1S/C23H24N4O2S/c1-23(2)5-3-15(4-6-23)16-11-17-18(13-25-20(17)24-12-16)19-14-30-21(26-19)22(28)27-7-9-29-10-8-27/h3-5,11-14H,6-10H2,1-2H3,(H,24,25)
InChIKeyMFZTZWWHGKPTQW-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.53
Rot. Bonds3

About [4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone

[4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (PubChem CID 24992437) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is [4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
PubChem CID24992437
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name[4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C)C=CC(c2cnc3[nH]cc(-c4csc(C(=O)N5CCOCC5)n4)c3c2)=CC1
InChIInChI=1S/C23H24N4O2S/c1-23(2)5-3-15(4-6-23)16-11-17-18(13-25-20(17)24-12-16)19-14-30-21(26-19)22(28)27-7-9-29-10-8-27/h3-5,11-14H,6-10H2,1-2H3,(H,24,25)
InChIKeyMFZTZWWHGKPTQW-UHFFFAOYSA-N
XLogP4.53
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 90029963
(4-methylpiperazin-1-yl)-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone
CID 24993424
[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 11661380
morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
CID 59699864
[3-[3-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59699915
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494
[3-[3-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59700143
2-(morpholine-4-carbonyl)-1,3-thiazole-4-carboxamide
CID 174869573
[3-[3-(2-ethoxy-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 70960684
4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine
CID 66556280
N-methyl-3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 134292871
N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 11501785

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (CID 24992437) is [4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is CC1(C)C=CC(c2cnc3[nH]cc(-c4csc(C(=O)N5CCOCC5)n4)c3c2)=CC1.
What is the InChIKey of [4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is MFZTZWWHGKPTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-23(2)5-3-15(4-6-23)16-11-17-18(13-25-20(17)24-12-16)19-14-30-21(26-19)22(28)27-7-9-29-10-8-27/h3-5,11-14H,6-10H2,1-2H3,(H,24,25).
What are the key properties of [4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
[4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 420.54 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24992437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).