(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile

C25H30N8O — CID 135388510

IUPAC(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile
SMILESC[C@@H]1CC(C#N)CCN1c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1
InChIInChI=1S/C25H30N8O/c1-17-14-18(15-26)9-12-31(17)21-16-28-23-24(29-21)33(22-8-2-3-13-34-22)30-25(23)32-11-5-6-19-20(32)7-4-10-27-19/h4,7,10,16-18,22H,2-3,5-6,8-9,11-14H2,1H3/t17-,18?,22?/m1/s1
InChIKeyFZFCQMKAOUAQJH-PDDLGQBUSA-N
MW458.57 g/mol
LogP4.13
Rot. Bonds3

About (2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile

(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile (PubChem CID 135388510) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is (2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile
PubChem CID135388510
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile
SMILESC[C@@H]1CC(C#N)CCN1c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1
InChIInChI=1S/C25H30N8O/c1-17-14-18(15-26)9-12-31(17)21-16-28-23-24(29-21)33(22-8-2-3-13-34-22)30-25(23)32-11-5-6-19-20(32)7-4-10-27-19/h4,7,10,16-18,22H,2-3,5-6,8-9,11-14H2,1H3/t17-,18?,22?/m1/s1
InChIKeyFZFCQMKAOUAQJH-PDDLGQBUSA-N
XLogP4.13
TPSA95.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile with MolForge

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Related Compounds

3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline
CID 167608543
benzyl N-[[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]carbamate
CID 164850797
tert-butyl N-[(3S,4S)-3-methyl-8-[3-(6-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 175838240
tert-butyl N-[(1S)-1'-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;methane;5,6,7,8-tetrahydroquinoline
CID 167628779
tert-butyl N-[(3S,4S)-3-methyl-8-[3-[1-(methylcarbamoyl)-2,3-dihydropyrido[2,3-b]pyrazin-4-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 142484512
tert-butyl N-[(3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]carbamate
CID 155774388
tert-butyl N-[(3S,4S)-8-[3-[5-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 135388528
tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 155774334
tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 155774185
methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride
CID 142484380
(4S)-1-[6-[4-(aminomethyl)cyclohexen-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-methyl-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 139511906
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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile?
The IUPAC name of (2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile (CID 135388510) is (2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile.
What is the SMILES notation for (2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile?
The canonical SMILES for (2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile is C[C@@H]1CC(C#N)CCN1c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.
What is the InChIKey of (2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile?
The InChIKey is FZFCQMKAOUAQJH-PDDLGQBUSA-N. The full InChI is InChI=1S/C25H30N8O/c1-17-14-18(15-26)9-12-31(17)21-16-28-23-24(29-21)33(22-8-2-3-13-34-22)30-25(23)32-11-5-6-19-20(32)7-4-10-27-19/h4,7,10,16-18,22H,2-3,5-6,8-9,11-14H2,1H3/t17-,18?,22?/m1/s1.
What are the key properties of (2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile?
(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile has a molecular weight of 458.57 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 135388510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).