N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C18H30N4O2 — CID 26222892

IUPACN-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC=CCN1CCc2c(c(C(=O)NCCOC)nn2CCC(C)C)C1
InChIInChI=1S/C18H30N4O2/c1-5-9-21-10-7-16-15(13-21)17(18(23)19-8-12-24-4)20-22(16)11-6-14(2)3/h5,14H,1,6-13H2,2-4H3,(H,19,23)
InChIKeyWOZFBXPEFRVKMO-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.85
Rot. Bonds9

About N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26222892) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26222892
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC=CCN1CCc2c(c(C(=O)NCCOC)nn2CCC(C)C)C1
InChIInChI=1S/C18H30N4O2/c1-5-9-21-10-7-16-15(13-21)17(18(23)19-8-12-24-4)20-22(16)11-6-14(2)3/h5,14H,1,6-13H2,2-4H3,(H,19,23)
InChIKeyWOZFBXPEFRVKMO-UHFFFAOYSA-N
XLogP1.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228592
N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26215082
N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26230011
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162773
ethyl 1-(3-methylbutyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26230167
N-benzyl-1-(2-hydroxyethyl)-5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26225988
N-benzyl-1-(2-hydroxyethyl)-5-(3-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26140157
[5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone
CID 134573895
ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26223058
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26219419
ethyl 1-(3-methylbutyl)-5-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26222539
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[4-(4-methoxyphenyl)butan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45160581

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26222892) is N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is C=CCN1CCc2c(c(C(=O)NCCOC)nn2CCC(C)C)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is WOZFBXPEFRVKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-5-9-21-10-7-16-15(13-21)17(18(23)19-8-12-24-4)20-22(16)11-6-14(2)3/h5,14H,1,6-13H2,2-4H3,(H,19,23).
What are the key properties of N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(3-methylbutyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26222892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).