(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

C21H26N8 — CID 135388355

IUPAC(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
SMILESN[C@@H]1CCC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2
InChIInChI=1S/C21H26N8/c22-16-5-6-21(16)7-11-28(12-8-21)17-13-24-18-19(25-17)26-27-20(18)29-10-2-3-14-15(29)4-1-9-23-14/h1,4,9,13,16H,2-3,5-8,10-12,22H2,(H,25,26,27)/t16-/m1/s1
InChIKeyVBPFIRLYKZTTJC-MRXNPFEDSA-N
MW390.50 g/mol
LogP2.54
Rot. Bonds2

About (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

(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 (PubChem CID 135388355) has the molecular formula C21H26N8 and a molecular weight of 390.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135388355
Molecular FormulaC21H26N8
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC Name(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
SMILESN[C@@H]1CCC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2
InChIInChI=1S/C21H26N8/c22-16-5-6-21(16)7-11-28(12-8-21)17-13-24-18-19(25-17)26-27-20(18)29-10-2-3-14-15(29)4-1-9-23-14/h1,4,9,13,16H,2-3,5-8,10-12,22H2,(H,25,26,27)/t16-/m1/s1
InChIKeyVBPFIRLYKZTTJC-MRXNPFEDSA-N
XLogP2.54
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine
CID 142484793
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
[(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
(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
3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine
CID 138513910
(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
(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
(3S)-1-[5-[6-[(4S)-4-amino-3-methylidene-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]pyrrolidin-3-ol
CID 142484777
(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
[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
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N[C@@H]1CCC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2.
What is the InChIKey of (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?
The InChIKey is VBPFIRLYKZTTJC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N8/c22-16-5-6-21(16)7-11-28(12-8-21)17-13-24-18-19(25-17)26-27-20(18)29-10-2-3-14-15(29)4-1-9-23-14/h1,4,9,13,16H,2-3,5-8,10-12,22H2,(H,25,26,27)/t16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 390.50 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135388355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).