(5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine

C26H29N7 — CID 167190994

IUPAC(5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine
SMILESN[C@H]1CC[C@H](c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CCCc2ccccc21
InChIInChI=1S/C26H29N7/c27-20-13-12-18(8-3-7-17-6-1-2-9-19(17)20)22-16-29-24-25(30-22)31-32-26(24)33-15-5-10-21-23(33)11-4-14-28-21/h1-2,4,6,9,11,14,16,18,20H,3,5,7-8,10,12-13,15,27H2,(H,30,31,32)/t18-,20+/m1/s1
InChIKeyDFORVUNZAWQPFP-QUCCMNQESA-N
MW439.57 g/mol
LogP4.73
Rot. Bonds2

About (5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine

(5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine (PubChem CID 167190994) has the molecular formula C26H29N7 and a molecular weight of 439.57 g/mol. Its IUPAC name is (5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine.

Molecular Properties

Compound Name(5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine
PubChem CID167190994
Molecular FormulaC26H29N7
Molecular Weight439.57 g/mol
Exact Mass439.25
IUPAC Name(5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine
SMILESN[C@H]1CC[C@H](c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CCCc2ccccc21
InChIInChI=1S/C26H29N7/c27-20-13-12-18(8-3-7-17-6-1-2-9-19(17)20)22-16-29-24-25(30-22)31-32-26(24)33-15-5-10-21-23(33)11-4-14-28-21/h1-2,4,6,9,11,14,16,18,20H,3,5,7-8,10,12-13,15,27H2,(H,30,31,32)/t18-,20+/m1/s1
InChIKeyDFORVUNZAWQPFP-QUCCMNQESA-N
XLogP4.73
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine
CID 138513910
1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine
CID 142484793
(3R)-7-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
CID 135388355
(3S)-7-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
CID 135388147
[(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine
CID 146642409
3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-N-[(3S,4S)-3-methyloxan-4-yl]-1H-pyrazolo[3,4-b]pyrazin-6-amine
CID 142552699
[(1R)-4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine
CID 139527635
tert-butyl-[3-[1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-yl]propylamino]-oxidosulfanium
CID 174022305
(1R)-4'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
CID 158936254
tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate
CID 142484437
[1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
CID 142484325
[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol
CID 153346470

Frequently Asked Questions

What is the IUPAC name of (5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine?
The IUPAC name of (5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine (CID 167190994) is (5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine.
What is the SMILES notation for (5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine?
The canonical SMILES for (5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine is N[C@H]1CC[C@H](c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CCCc2ccccc21.
What is the InChIKey of (5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine?
The InChIKey is DFORVUNZAWQPFP-QUCCMNQESA-N. The full InChI is InChI=1S/C26H29N7/c27-20-13-12-18(8-3-7-17-6-1-2-9-19(17)20)22-16-29-24-25(30-22)31-32-26(24)33-15-5-10-21-23(33)11-4-14-28-21/h1-2,4,6,9,11,14,16,18,20H,3,5,7-8,10,12-13,15,27H2,(H,30,31,32)/t18-,20+/m1/s1.
What are the key properties of (5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine?
(5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine has a molecular weight of 439.57 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulen-5-amine is sourced from PubChem (CID 167190994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).