2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile

C21H24N8O — CID 163408026

IUPAC2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
SMILESCOC1CC(CC#N)(n2ccc(-c3nc(C4CC(N)NN4)cc4ncccc34)n2)C1
InChIInChI=1S/C21H24N8O/c1-30-13-11-21(12-13,5-6-22)29-8-4-15(28-29)20-14-3-2-7-24-16(14)9-17(25-20)18-10-19(23)27-26-18/h2-4,7-9,13,18-19,26-27H,5,10-12,23H2,1H3
InChIKeyAZKCWIXVNGYAGR-UHFFFAOYSA-N
MW404.48 g/mol
LogP1.73
Rot. Bonds5

About 2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile

2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile (PubChem CID 163408026) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
PubChem CID163408026
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
SMILESCOC1CC(CC#N)(n2ccc(-c3nc(C4CC(N)NN4)cc4ncccc34)n2)C1
InChIInChI=1S/C21H24N8O/c1-30-13-11-21(12-13,5-6-22)29-8-4-15(28-29)20-14-3-2-7-24-16(14)9-17(25-20)18-10-19(23)27-26-18/h2-4,7-9,13,18-19,26-27H,5,10-12,23H2,1H3
InChIKeyAZKCWIXVNGYAGR-UHFFFAOYSA-N
XLogP1.73
TPSA126.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-[3-[7-(3-aminopyrazolidin-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile
CID 163408030
2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile
CID 163408022
2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
CID 142530293
2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 146591673
2-[1-cyclopropylsulfonyl-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 142530274
2-[1-methylsulfonyl-3-[3-[7-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 142530290
2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
CID 155207407
2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
CID 165081742
3-[4-[1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 130339307
2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
CID 146591670
2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128978159
3-(cyanomethyl)-3-[4-[6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
CID 162644467

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
The IUPAC name of 2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile (CID 163408026) is 2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile.
What is the SMILES notation for 2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
The canonical SMILES for 2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile is COC1CC(CC#N)(n2ccc(-c3nc(C4CC(N)NN4)cc4ncccc34)n2)C1.
What is the InChIKey of 2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
The InChIKey is AZKCWIXVNGYAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-30-13-11-21(12-13,5-6-22)29-8-4-15(28-29)20-14-3-2-7-24-16(14)9-17(25-20)18-10-19(23)27-26-18/h2-4,7-9,13,18-19,26-27H,5,10-12,23H2,1H3.
What are the key properties of 2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile has a molecular weight of 404.48 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile is sourced from PubChem (CID 163408026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).