methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate

C22H28N8O2 — CID 146642417

IUPACmethyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC(C)(CN)CC3)cnc12
InChIInChI=1S/C22H28N8O2/c1-22(13-23)7-10-29(11-8-22)17-12-24-18-19(26-17)27-28-20(18)30-9-3-4-14-16(30)6-5-15(25-14)21(31)32-2/h5-6,12H,3-4,7-11,13,23H2,1-2H3,(H,26,27,28)
InChIKeyHQWCPUCVNWFTOA-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.18
Rot. Bonds4

About methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate

methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate (PubChem CID 146642417) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate
PubChem CID146642417
Molecular FormulaC22H28N8O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC Namemethyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC(C)(CN)CC3)cnc12
InChIInChI=1S/C22H28N8O2/c1-22(13-23)7-10-29(11-8-22)17-12-24-18-19(26-17)27-28-20(18)30-9-3-4-14-16(30)6-5-15(25-14)21(31)32-2/h5-6,12H,3-4,7-11,13,23H2,1-2H3,(H,26,27,28)
InChIKeyHQWCPUCVNWFTOA-UHFFFAOYSA-N
XLogP2.18
TPSA126.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate?
The IUPAC name of methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate (CID 146642417) is methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate is COC(=O)c1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC(C)(CN)CC3)cnc12.
What is the InChIKey of methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate?
The InChIKey is HQWCPUCVNWFTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2/c1-22(13-23)7-10-29(11-8-22)17-12-24-18-19(26-17)27-28-20(18)30-9-3-4-14-16(30)6-5-15(25-14)21(31)32-2/h5-6,12H,3-4,7-11,13,23H2,1-2H3,(H,26,27,28).
What are the key properties of methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate?
methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate has a molecular weight of 436.52 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate is sourced from PubChem (CID 146642417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).