1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C18H24N4O2 — CID 121373220

IUPAC1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOCCn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C18H24N4O2/c1-13-5-4-6-15(11-13)19-18-16-12-21(14(2)23)8-7-17(16)22(20-18)9-10-24-3/h4-6,11H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyBPKDBMDIWIBGMA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.49
Rot. Bonds5

About 1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373220) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373220
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOCCn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C18H24N4O2/c1-13-5-4-6-15(11-13)19-18-16-12-21(14(2)23)8-7-17(16)22(20-18)9-10-24-3/h4-6,11H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyBPKDBMDIWIBGMA-UHFFFAOYSA-N
XLogP2.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373220) is 1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is COCCn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is BPKDBMDIWIBGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-5-4-6-15(11-13)19-18-16-12-21(14(2)23)8-7-17(16)22(20-18)9-10-24-3/h4-6,11H,7-10,12H2,1-3H3,(H,19,20).
What are the key properties of 1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).