1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine

C23H23N7 — CID 142484793

IUPAC1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine
SMILESc1ccc(C2CCN(c3cnc4c(N5CCCc6ncccc65)n[nH]c4n3)C2)cc1
InChIInChI=1S/C23H23N7/c1-2-6-16(7-3-1)17-10-13-29(15-17)20-14-25-21-22(26-20)27-28-23(21)30-12-5-8-18-19(30)9-4-11-24-18/h1-4,6-7,9,11,14,17H,5,8,10,12-13,15H2,(H,26,27,28)
InChIKeyXKUFVGLUJZBSHP-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.83
Rot. Bonds3

About 1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine

1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 142484793) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is 1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID142484793
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC Name1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine
SMILESc1ccc(C2CCN(c3cnc4c(N5CCCc6ncccc65)n[nH]c4n3)C2)cc1
InChIInChI=1S/C23H23N7/c1-2-6-16(7-3-1)17-10-13-29(15-17)20-14-25-21-22(26-20)27-28-23(21)30-12-5-8-18-19(30)9-4-11-24-18/h1-4,6-7,9,11,14,17H,5,8,10,12-13,15H2,(H,26,27,28)
InChIKeyXKUFVGLUJZBSHP-UHFFFAOYSA-N
XLogP3.83
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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-1H-pyrazolo[3,4-b]pyrazin-6-amine
CID 138513910
(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
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
benzyl-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamic acid;[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 175754841
[(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
[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)-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
5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine
CID 80652395
[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 1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine (CID 142484793) is 1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine is c1ccc(C2CCN(c3cnc4c(N5CCCc6ncccc65)n[nH]c4n3)C2)cc1.
What is the InChIKey of 1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is XKUFVGLUJZBSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7/c1-2-6-16(7-3-1)17-10-13-29(15-17)20-14-25-21-22(26-20)27-28-23(21)30-12-5-8-18-19(30)9-4-11-24-18/h1-4,6-7,9,11,14,17H,5,8,10,12-13,15H2,(H,26,27,28).
What are the key properties of 1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine?
1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 397.49 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-phenylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 142484793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).