2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile

C22H23N7O — CID 163408022

IUPAC2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile
SMILESN#CCC1(n2ccc(-c3nc(C4CCNN4)cc4ncccc34)n2)CC2(COC2)C1
InChIInChI=1S/C22H23N7O/c23-6-5-22(11-21(12-22)13-30-14-21)29-9-4-17(28-29)20-15-2-1-7-24-18(15)10-19(26-20)16-3-8-25-27-16/h1-2,4,7,9-10,16,25,27H,3,5,8,11-14H2
InChIKeyOLSGBLPMFTVOBQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.45
Rot. Bonds4

About 2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile

2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile (PubChem CID 163408022) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile
PubChem CID163408022
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile
SMILESN#CCC1(n2ccc(-c3nc(C4CCNN4)cc4ncccc34)n2)CC2(COC2)C1
InChIInChI=1S/C22H23N7O/c23-6-5-22(11-21(12-22)13-30-14-21)29-9-4-17(28-29)20-15-2-1-7-24-18(15)10-19(26-20)16-3-8-25-27-16/h1-2,4,7,9-10,16,25,27H,3,5,8,11-14H2
InChIKeyOLSGBLPMFTVOBQ-UHFFFAOYSA-N
XLogP2.45
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[3-[7-(5-aminopyrazolidin-3-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
CID 163408026
2-[3-[3-[7-(3-aminopyrazolidin-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile
CID 163408030
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-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-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 146591673
2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
CID 142530293
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-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile
CID 175727387
2-[2-(cyanomethyl)-6-[4-[6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-6-yl]acetonitrile
CID 175663878
3-[3-[[7-[(2-methyl-1H-imidazol-5-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166769974
2-[6-[4-[6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]acetonitrile
CID 176590231
3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146645966

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile?
The IUPAC name of 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) is 2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile.
What is the SMILES notation for 2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile?
The canonical SMILES for 2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile is N#CCC1(n2ccc(-c3nc(C4CCNN4)cc4ncccc34)n2)CC2(COC2)C1.
What is the InChIKey of 2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile?
The InChIKey is OLSGBLPMFTVOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c23-6-5-22(11-21(12-22)13-30-14-21)29-9-4-17(28-29)20-15-2-1-7-24-18(15)10-19(26-20)16-3-8-25-27-16/h1-2,4,7,9-10,16,25,27H,3,5,8,11-14H2.
What are the key properties of 2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile?
2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile has a molecular weight of 401.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(7-pyrazolidin-3-yl-1,6-naphthyridin-5-yl)pyrazol-1-yl]-2-oxaspiro[3.3]heptan-6-yl]acetonitrile is sourced from PubChem (CID 163408022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).