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

C20H25N7O — CID 142552699

IUPAC3-(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
SMILESC[C@@H]1COCC[C@@H]1N(C)c1cnc2c(N3CCCc4ncccc43)n[nH]c2n1
InChIInChI=1S/C20H25N7O/c1-13-12-28-10-7-15(13)26(2)17-11-22-18-19(23-17)24-25-20(18)27-9-4-5-14-16(27)6-3-8-21-14/h3,6,8,11,13,15H,4-5,7,9-10,12H2,1-2H3,(H,23,24,25)/t13-,15+/m1/s1
InChIKeyUBSOXKUHOBKWBX-HIFRSBDPSA-N
MW379.47 g/mol
LogP2.69
Rot. Bonds3

About 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

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 (PubChem CID 142552699) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID142552699
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name3-(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
SMILESC[C@@H]1COCC[C@@H]1N(C)c1cnc2c(N3CCCc4ncccc43)n[nH]c2n1
InChIInChI=1S/C20H25N7O/c1-13-12-28-10-7-15(13)26(2)17-11-22-18-19(23-17)24-25-20(18)27-9-4-5-14-16(27)6-3-8-21-14/h3,6,8,11,13,15H,4-5,7,9-10,12H2,1-2H3,(H,23,24,25)/t13-,15+/m1/s1
InChIKeyUBSOXKUHOBKWBX-HIFRSBDPSA-N
XLogP2.69
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1COCC[C@@H]1N(C)c1cnc2c(N3CCCc4ncccc43)n[nH]c2n1.
What is the InChIKey of 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?
The InChIKey is UBSOXKUHOBKWBX-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H25N7O/c1-13-12-28-10-7-15(13)26(2)17-11-22-18-19(23-17)24-25-20(18)27-9-4-5-14-16(27)6-3-8-21-14/h3,6,8,11,13,15H,4-5,7,9-10,12H2,1-2H3,(H,23,24,25)/t13-,15+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 379.47 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142552699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).