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

C14H18N4O2S — CID 118744689

IUPAC[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCn1ncc2c1C(COC)N(C(=O)c1cscn1)CC2
InChIInChI=1S/C14H18N4O2S/c1-3-18-13-10(6-16-18)4-5-17(12(13)7-20-2)14(19)11-8-21-9-15-11/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyXDTMRMFNXVEXCF-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.75
Rot. Bonds4

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

[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 118744689) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID118744689
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCn1ncc2c1C(COC)N(C(=O)c1cscn1)CC2
InChIInChI=1S/C14H18N4O2S/c1-3-18-13-10(6-16-18)4-5-17(12(13)7-20-2)14(19)11-8-21-9-15-11/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyXDTMRMFNXVEXCF-UHFFFAOYSA-N
XLogP1.75
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone (CID 118744689) is [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone is CCn1ncc2c1C(COC)N(C(=O)c1cscn1)CC2.
What is the InChIKey of [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is XDTMRMFNXVEXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-18-13-10(6-16-18)4-5-17(12(13)7-20-2)14(19)11-8-21-9-15-11/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 306.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118744689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).