[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone

C14H18N4O2S — CID 118745140

IUPAC[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCOCC1CN(C(=O)c2cscn2)Cc2cn(C)nc21
InChIInChI=1S/C14H18N4O2S/c1-3-20-7-11-6-18(14(19)12-8-21-9-15-12)5-10-4-17(2)16-13(10)11/h4,8-9,11H,3,5-7H2,1-2H3
InChIKeyNQSROZVRLDJKMT-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.65
Rot. Bonds4

About [7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone

[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 118745140) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is [7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID118745140
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCOCC1CN(C(=O)c2cscn2)Cc2cn(C)nc21
InChIInChI=1S/C14H18N4O2S/c1-3-20-7-11-6-18(14(19)12-8-21-9-15-12)5-10-4-17(2)16-13(10)11/h4,8-9,11H,3,5-7H2,1-2H3
InChIKeyNQSROZVRLDJKMT-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone (CID 118745140) is [7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone is CCOCC1CN(C(=O)c2cscn2)Cc2cn(C)nc21.
What is the InChIKey of [7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is NQSROZVRLDJKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-20-7-11-6-18(14(19)12-8-21-9-15-12)5-10-4-17(2)16-13(10)11/h4,8-9,11H,3,5-7H2,1-2H3.
What are the key properties of [7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 306.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118745140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).