[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone

C18H21N5O2S — CID 85481767

IUPAC[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESCc1noc(C)c1C1NNC2CCN(C(=O)c3cc4sccc4[nH]3)CC21
InChIInChI=1S/C18H21N5O2S/c1-9-16(10(2)25-22-9)17-11-8-23(5-3-12(11)20-21-17)18(24)14-7-15-13(19-14)4-6-26-15/h4,6-7,11-12,17,19-21H,3,5,8H2,1-2H3
InChIKeyCXGQHTZSHGXUJL-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.51
Rot. Bonds2

About [3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone

[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (PubChem CID 85481767) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is [3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
PubChem CID85481767
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESCc1noc(C)c1C1NNC2CCN(C(=O)c3cc4sccc4[nH]3)CC21
InChIInChI=1S/C18H21N5O2S/c1-9-16(10(2)25-22-9)17-11-8-23(5-3-12(11)20-21-17)18(24)14-7-15-13(19-14)4-6-26-15/h4,6-7,11-12,17,19-21H,3,5,8H2,1-2H3
InChIKeyCXGQHTZSHGXUJL-UHFFFAOYSA-N
XLogP2.51
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 31161023
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 95195140
[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 133267483
4-ethyl-2-methyl-5-[(3S)-1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95222497
[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 99982136
2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72855517
(1-oxo-1,4-thiazinan-4-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 86807716
(3S)-1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 163269744
[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 91774047
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56757255
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 95225853
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50968436

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of [3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (CID 85481767) is [3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for [3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for [3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone is Cc1noc(C)c1C1NNC2CCN(C(=O)c3cc4sccc4[nH]3)CC21.
What is the InChIKey of [3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is CXGQHTZSHGXUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-9-16(10(2)25-22-9)17-11-8-23(5-3-12(11)20-21-17)18(24)14-7-15-13(19-14)4-6-26-15/h4,6-7,11-12,17,19-21H,3,5,8H2,1-2H3.
What are the key properties of [3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 371.47 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 85481767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).