[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone

C18H23N3O2S — CID 71837252

IUPAC[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOCc1nn(CC2CC2)c2c1CN(C(=O)c1sccc1C)CC2
InChIInChI=1S/C18H23N3O2S/c1-12-6-8-24-17(12)18(22)20-7-5-16-14(10-20)15(11-23-2)19-21(16)9-13-3-4-13/h6,8,13H,3-5,7,9-11H2,1-2H3
InChIKeyUMKNPCOHVYELDP-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.01
Rot. Bonds5

About [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone

[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 71837252) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID71837252
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOCc1nn(CC2CC2)c2c1CN(C(=O)c1sccc1C)CC2
InChIInChI=1S/C18H23N3O2S/c1-12-6-8-24-17(12)18(22)20-7-5-16-14(10-20)15(11-23-2)19-21(16)9-13-3-4-13/h6,8,13H,3-5,7,9-11H2,1-2H3
InChIKeyUMKNPCOHVYELDP-UHFFFAOYSA-N
XLogP3.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone (CID 71837252) is [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone is COCc1nn(CC2CC2)c2c1CN(C(=O)c1sccc1C)CC2.
What is the InChIKey of [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is UMKNPCOHVYELDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-6-8-24-17(12)18(22)20-7-5-16-14(10-20)15(11-23-2)19-21(16)9-13-3-4-13/h6,8,13H,3-5,7,9-11H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 345.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 71837252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).