[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

C18H17N5O2S — CID 31161023

IUPAC[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
SMILESCc1noc(C)c1-c1n[nH]c2c1CN(C(=O)c1cc3sccc3[nH]1)CC2
InChIInChI=1S/C18H17N5O2S/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/h4,6-7,19H,3,5,8H2,1-2H3,(H,20,21)
InChIKeyXEDWRWKZQDIGAV-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.42
Rot. Bonds2

About [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

[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 (PubChem CID 31161023) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID31161023
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name[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
SMILESCc1noc(C)c1-c1n[nH]c2c1CN(C(=O)c1cc3sccc3[nH]1)CC2
InChIInChI=1S/C18H17N5O2S/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/h4,6-7,19H,3,5,8H2,1-2H3,(H,20,21)
InChIKeyXEDWRWKZQDIGAV-UHFFFAOYSA-N
XLogP3.42
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [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 with MolForge

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Related Compounds

[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxy-4-pyridinyl)methanone
CID 31043479
[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
[3-(5-chloro-2,4-dihydroxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 136500492
(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 47000148
[3-(5-chloro-2,4-dihydroxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone
CID 136500667
N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442811
N-cyclohexyl-5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576774
5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576721
[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 133267483
(3-cyclopentyloxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1H-indol-2-yl)methanone
CID 142576904
1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 146783417
(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)-1,4,6,7-tetrahydropyrazolo[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)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (CID 31161023) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1noc(C)c1-c1n[nH]c2c1CN(C(=O)c1cc3sccc3[nH]1)CC2.
What is the InChIKey of [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?
The InChIKey is XEDWRWKZQDIGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/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/h4,6-7,19H,3,5,8H2,1-2H3,(H,20,21).
What are the key properties of [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?
[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 has a molecular weight of 367.43 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 31161023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).