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

C18H20N4O2 — CID 71837271

IUPAC1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCOCc1nn(C)c2c1CN(C(=O)c1cccc3[nH]ccc13)CC2
InChIInChI=1S/C18H20N4O2/c1-21-17-7-9-22(10-14(17)16(20-21)11-24-2)18(23)13-4-3-5-15-12(13)6-8-19-15/h3-6,8,19H,7,9-11H2,1-2H3
InChIKeyWJTAAXBGJYTVPJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.25
Rot. Bonds3

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

1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 71837271) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID71837271
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCOCc1nn(C)c2c1CN(C(=O)c1cccc3[nH]ccc13)CC2
InChIInChI=1S/C18H20N4O2/c1-21-17-7-9-22(10-14(17)16(20-21)11-24-2)18(23)13-4-3-5-15-12(13)6-8-19-15/h3-6,8,19H,7,9-11H2,1-2H3
InChIKeyWJTAAXBGJYTVPJ-UHFFFAOYSA-N
XLogP2.25
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of 1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 71837271) is 1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for 1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for 1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is COCc1nn(C)c2c1CN(C(=O)c1cccc3[nH]ccc13)CC2.
What is the InChIKey of 1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is WJTAAXBGJYTVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21-17-7-9-22(10-14(17)16(20-21)11-24-2)18(23)13-4-3-5-15-12(13)6-8-19-15/h3-6,8,19H,7,9-11H2,1-2H3.
What are the key properties of 1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-[3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 71837271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).