3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine

C19H34N6O — CID 155747014

IUPAC3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine
SMILESCC.CCN1C(=O)CCc2c(CN)nn(-c3ccccc3)c21.CN.CN
InChIInChI=1S/C15H18N4O.C2H6.2CH5N/c1-2-18-14(20)9-8-12-13(10-16)17-19(15(12)18)11-6-4-3-5-7-11;3*1-2/h3-7H,2,8-10,16H2,1H3;1-2H3;2*2H2,1H3
InChIKeyVFLSDGOYEKUHNM-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.81
Rot. Bonds3

About 3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine

3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine (PubChem CID 155747014) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine.

Molecular Properties

Compound Name3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine
PubChem CID155747014
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine
SMILESCC.CCN1C(=O)CCc2c(CN)nn(-c3ccccc3)c21.CN.CN
InChIInChI=1S/C15H18N4O.C2H6.2CH5N/c1-2-18-14(20)9-8-12-13(10-16)17-19(15(12)18)11-6-4-3-5-7-11;3*1-2/h3-7H,2,8-10,16H2,1H3;1-2H3;2*2H2,1H3
InChIKeyVFLSDGOYEKUHNM-UHFFFAOYSA-N
XLogP1.81
TPSA116.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline
CID 177014693
(4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 177014897
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
ethyl (6Z)-6-(dimethylaminomethylidene)-7-oxo-1-phenyl-4,5-dihydroindazole-3-carboxylate
CID 68936625
4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one
CID 28965251
ethene;1-ethylpyrrolidine-2,5-dione
CID 143516533
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745
5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
CID 139238262
2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid
CID 10614604
3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
CID 102460361
4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one
CID 12867814
5-O-tert-butyl 3-O-ethyl 1-phenyl-4H-indeno[2,1-d]pyrazole-3,5-dicarboxylate
CID 67787723

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine?
The IUPAC name of 3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine (CID 155747014) is 3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine.
What is the SMILES notation for 3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine?
The canonical SMILES for 3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine is CC.CCN1C(=O)CCc2c(CN)nn(-c3ccccc3)c21.CN.CN.
What is the InChIKey of 3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine?
The InChIKey is VFLSDGOYEKUHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.C2H6.2CH5N/c1-2-18-14(20)9-8-12-13(10-16)17-19(15(12)18)11-6-4-3-5-7-11;3*1-2/h3-7H,2,8-10,16H2,1H3;1-2H3;2*2H2,1H3.
What are the key properties of 3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine?
3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine has a molecular weight of 362.52 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine is sourced from PubChem (CID 155747014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).