[(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

C21H25N7 — CID 139527635

IUPAC[(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
SMILESC[C@]1(CN)CC=C(c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CC1
InChIInChI=1S/C21H25N7/c1-21(13-22)8-6-14(7-9-21)16-12-24-18-19(25-16)26-27-20(18)28-11-3-4-15-17(28)5-2-10-23-15/h2,5-6,10,12H,3-4,7-9,11,13,22H2,1H3,(H,25,26,27)/t21-/m0/s1
InChIKeyUEXOAIDLXUMQGS-NRFANRHFSA-N
MW375.48 g/mol
LogP3.36
Rot. Bonds3

About [(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

[(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 (PubChem CID 139527635) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID139527635
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name[(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
SMILESC[C@]1(CN)CC=C(c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CC1
InChIInChI=1S/C21H25N7/c1-21(13-22)8-6-14(7-9-21)16-12-24-18-19(25-16)26-27-20(18)28-11-3-4-15-17(28)5-2-10-23-15/h2,5-6,10,12H,3-4,7-9,11,13,22H2,1H3,(H,25,26,27)/t21-/m0/s1
InChIKeyUEXOAIDLXUMQGS-NRFANRHFSA-N
XLogP3.36
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(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 with MolForge

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Related Compounds

3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine
CID 138513910
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
(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
[1-[3-(6-isocyano-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
CID 167366376
[(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
[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
[4-methyl-1-[3-(5-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
CID 142484397
(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
1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine
CID 142484793
[4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
CID 146424365

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C[C@]1(CN)CC=C(c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CC1.
What is the InChIKey of [(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?
The InChIKey is UEXOAIDLXUMQGS-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N7/c1-21(13-22)8-6-14(7-9-21)16-12-24-18-19(25-16)26-27-20(18)28-11-3-4-15-17(28)5-2-10-23-15/h2,5-6,10,12H,3-4,7-9,11,13,22H2,1H3,(H,25,26,27)/t21-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 375.48 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 139527635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).