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

C22H26N8 — CID 166769974

IUPAC3-[3-[[7-[(2-methyl-1H-imidazol-5-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
SMILESCc1ncc(Nc2cc3ncccc3c(NC3CC4CCC(C3)N4CCC#N)n2)[nH]1
InChIInChI=1S/C22H26N8/c1-14-25-13-21(26-14)28-20-12-19-18(4-2-8-24-19)22(29-20)27-15-10-16-5-6-17(11-15)30(16)9-3-7-23/h2,4,8,12-13,15-17H,3,5-6,9-11H2,1H3,(H,25,26)(H2,27,28,29)
InChIKeyAHRAWLFPJRWVTC-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.73
Rot. Bonds6

About 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

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 (PubChem CID 166769974) has the molecular formula C22H26N8 and a molecular weight of 402.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[3-[[7-[(2-methyl-1H-imidazol-5-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
PubChem CID166769974
Molecular FormulaC22H26N8
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Name3-[3-[[7-[(2-methyl-1H-imidazol-5-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
SMILESCc1ncc(Nc2cc3ncccc3c(NC3CC4CCC(C3)N4CCC#N)n2)[nH]1
InChIInChI=1S/C22H26N8/c1-14-25-13-21(26-14)28-20-12-19-18(4-2-8-24-19)22(29-20)27-15-10-16-5-6-17(11-15)30(16)9-3-7-23/h2,4,8,12-13,15-17H,3,5-6,9-11H2,1H3,(H,25,26)(H2,27,28,29)
InChIKeyAHRAWLFPJRWVTC-UHFFFAOYSA-N
XLogP3.73
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncc(Nc2cc3ncccc3c(NC3CC4CCC(C3)N4CCC#N)n2)[nH]1.
What is the InChIKey of 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?
The InChIKey is AHRAWLFPJRWVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8/c1-14-25-13-21(26-14)28-20-12-19-18(4-2-8-24-19)22(29-20)27-15-10-16-5-6-17(11-15)30(16)9-3-7-23/h2,4,8,12-13,15-17H,3,5-6,9-11H2,1H3,(H,25,26)(H2,27,28,29).
What are the key properties of 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?
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 has a molecular weight of 402.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166769974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).