3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile

C24H29N7OS — CID 166770016

IUPAC3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
SMILESCC(CO)c1cnc(Nc2cc3ncccc3c(NC3CC4CCC(C3)N4CCC#N)n2)s1
InChIInChI=1S/C24H29N7OS/c1-15(14-32)21-13-27-24(33-21)30-22-12-20-19(4-2-8-26-20)23(29-22)28-16-10-17-5-6-18(11-16)31(17)9-3-7-25/h2,4,8,12-13,15-18,32H,3,5-6,9-11,14H2,1H3,(H2,27,28,29,30)
InChIKeyPKAWGGNPXDWBJI-UHFFFAOYSA-N
MW463.61 g/mol
LogP4.25
Rot. Bonds8

About 3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile

3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile (PubChem CID 166770016) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is 3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
PubChem CID166770016
Molecular FormulaC24H29N7OS
Molecular Weight463.61 g/mol
Exact Mass463.22
IUPAC Name3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
SMILESCC(CO)c1cnc(Nc2cc3ncccc3c(NC3CC4CCC(C3)N4CCC#N)n2)s1
InChIInChI=1S/C24H29N7OS/c1-15(14-32)21-13-27-24(33-21)30-22-12-20-19(4-2-8-26-20)23(29-22)28-16-10-17-5-6-18(11-16)31(17)9-3-7-25/h2,4,8,12-13,15-18,32H,3,5-6,9-11,14H2,1H3,(H2,27,28,29,30)
InChIKeyPKAWGGNPXDWBJI-UHFFFAOYSA-N
XLogP4.25
TPSA109.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile 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

3-[(1R,5S)-3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645179
3-[(1R,5S)-3-[[7-[(5-methyl-1,3-thiazol-2-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645176
3-[(1R,5S)-3-[[7-[(5-ethyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645173
3-[(1R,5S)-3-[[7-[(5-methyl-1-propan-2-ylpyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 171457733
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
3-[(1R,5S)-3-[[7-(1H-indazol-3-ylamino)-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146644770
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
3-[3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]azetidin-1-yl]propanenitrile
CID 146645218
3-[3-[[4-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]quinazolin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645291
1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone
CID 166770011
[2-[[5-[[3-(2-fluoroethyl)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]amino]-1,6-naphthyridin-7-yl]amino]-1,3-thiazol-5-yl]methanol
CID 146644965
1-[[(1S,5R)-7-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]sulfonyl]azetidine-3-carbonitrile
CID 146645214

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?
The IUPAC name of 3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile (CID 166770016) is 3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-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-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?
The canonical SMILES for 3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile is CC(CO)c1cnc(Nc2cc3ncccc3c(NC3CC4CCC(C3)N4CCC#N)n2)s1.
What is the InChIKey of 3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?
The InChIKey is PKAWGGNPXDWBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7OS/c1-15(14-32)21-13-27-24(33-21)30-22-12-20-19(4-2-8-26-20)23(29-22)28-16-10-17-5-6-18(11-16)31(17)9-3-7-25/h2,4,8,12-13,15-18,32H,3,5-6,9-11,14H2,1H3,(H2,27,28,29,30).
What are the key properties of 3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?
3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile has a molecular weight of 463.61 g/mol, XLogP of 4.25, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile is sourced from PubChem (CID 166770016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).