(3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C26H32N10O — CID 167845086

IUPAC(3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6c5ccnc6-c5ccnn5C)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C26H32N10O/c1-16-23(27)26(15-37-16)7-12-35(13-8-26)20-14-29-22-24(31-20)32-33-25(22)36-11-3-4-17-18(36)5-9-28-21(17)19-6-10-30-34(19)2/h5-6,9-10,14,16,23H,3-4,7-8,11-13,15,27H2,1-2H3,(H,31,32,33)/t16-,23+/m0/s1
InChIKeyQMIIXFUITMYXLT-QMHKHESXSA-N
MW500.61 g/mol
LogP2.57
Rot. Bonds3

About (3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 167845086) has the molecular formula C26H32N10O and a molecular weight of 500.61 g/mol. Its IUPAC name is (3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID167845086
Molecular FormulaC26H32N10O
Molecular Weight500.61 g/mol
Exact Mass500.28
IUPAC Name(3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6c5ccnc6-c5ccnn5C)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C26H32N10O/c1-16-23(27)26(15-37-16)7-12-35(13-8-26)20-14-29-22-24(31-20)32-33-25(22)36-11-3-4-17-18(36)5-9-28-21(17)19-6-10-30-34(19)2/h5-6,9-10,14,16,23H,3-4,7-8,11-13,15,27H2,1-2H3,(H,31,32,33)/t16-,23+/m0/s1
InChIKeyQMIIXFUITMYXLT-QMHKHESXSA-N
XLogP2.57
TPSA126.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(3S,4S)-3-methyl-8-[3-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366391
N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
CID 135388909
(3S,4S)-3-methyl-8-[3-[5-(1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135388882
(3S,4S)-3-methyl-8-[3-[6-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135388745
(3S)-3-methyl-8-[3-[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 142484357
1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-5-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 167366320
(3S,4S)-8-[3-[6-(2,5-dihydrofuran-3-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366237
(3S,4S)-8-[3-[6-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;hydrochloride
CID 142484390
(3S,4S)-8-[3-(6-cyclohexa-1,5-dien-1-yl-5-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366233
2-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]acetic acid;hydrochloride
CID 135388867
1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7-fluoro-4-methyl-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 167845111
(3S,4S)-8-[3-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366294

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 167845086) is (3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6c5ccnc6-c5ccnn5C)n[nH]c4n3)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is QMIIXFUITMYXLT-QMHKHESXSA-N. The full InChI is InChI=1S/C26H32N10O/c1-16-23(27)26(15-37-16)7-12-35(13-8-26)20-14-29-22-24(31-20)32-33-25(22)36-11-3-4-17-18(36)5-9-28-21(17)19-6-10-30-34(19)2/h5-6,9-10,14,16,23H,3-4,7-8,11-13,15,27H2,1-2H3,(H,31,32,33)/t16-,23+/m0/s1.
What are the key properties of (3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 500.61 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 167845086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).