1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile

C17H24N4O2 — CID 131683389

IUPAC1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile
SMILESCCOCC1CN(C(=O)C2(C#N)CCCC2)Cc2cn(C)nc21
InChIInChI=1S/C17H24N4O2/c1-3-23-11-14-10-21(9-13-8-20(2)19-15(13)14)16(22)17(12-18)6-4-5-7-17/h8,14H,3-7,9-11H2,1-2H3
InChIKeyLXVFHHVLIKTODM-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.97
Rot. Bonds4

About 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile

1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 131683389) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile
PubChem CID131683389
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile
SMILESCCOCC1CN(C(=O)C2(C#N)CCCC2)Cc2cn(C)nc21
InChIInChI=1S/C17H24N4O2/c1-3-23-11-14-10-21(9-13-8-20(2)19-15(13)14)16(22)17(12-18)6-4-5-7-17/h8,14H,3-7,9-11H2,1-2H3
InChIKeyLXVFHHVLIKTODM-UHFFFAOYSA-N
XLogP1.97
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
CID 131683171
[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131683334
1-[(7R)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97423285
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 131682911
2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 155875901
7-(ethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 133141649
3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
CID 118739406
7-(ethoxymethyl)-2-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131641198
[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone
CID 155871618
1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 106669285
7-(ethoxymethyl)-5-(6-methoxypyrimidin-4-yl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131659897
(7R)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382482

Frequently Asked Questions

What is the IUPAC name of 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile (CID 131683389) is 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile is CCOCC1CN(C(=O)C2(C#N)CCCC2)Cc2cn(C)nc21.
What is the InChIKey of 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is LXVFHHVLIKTODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-23-11-14-10-21(9-13-8-20(2)19-15(13)14)16(22)17(12-18)6-4-5-7-17/h8,14H,3-7,9-11H2,1-2H3.
What are the key properties of 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile?
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 316.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 131683389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).