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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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).