N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine

C26H33N7O3S — CID 156802167

IUPACN-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine
SMILESCC(C)c1ncc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(N4CC[C@H]5COC[C@H]54)n3)cc12
InChIInChI=1S/C26H33N7O3S/c1-16(2)25-19-8-24(28-9-20(19)21(10-29-25)32-11-17(12-32)15-37(3,34)35)30-23-4-6-27-26(31-23)33-7-5-18-13-36-14-22(18)33/h4,6,8-10,16-18,22H,5,7,11-15H2,1-3H3,(H,27,28,30,31)/t18-,22+/m0/s1
InChIKeyJGUBHAMMANUHPU-PGRDOPGGSA-N
MW523.66 g/mol
LogP2.99
Rot. Bonds7

About N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine

N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine (PubChem CID 156802167) has the molecular formula C26H33N7O3S and a molecular weight of 523.66 g/mol. Its IUPAC name is N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine.

Molecular Properties

Compound NameN-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine
PubChem CID156802167
Molecular FormulaC26H33N7O3S
Molecular Weight523.66 g/mol
Exact Mass523.24
IUPAC NameN-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine
SMILESCC(C)c1ncc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(N4CC[C@H]5COC[C@H]54)n3)cc12
InChIInChI=1S/C26H33N7O3S/c1-16(2)25-19-8-24(28-9-20(19)21(10-29-25)32-11-17(12-32)15-37(3,34)35)30-23-4-6-27-26(31-23)33-7-5-18-13-36-14-22(18)33/h4,6,8-10,16-18,22H,5,7,11-15H2,1-3H3,(H,27,28,30,31)/t18-,22+/m0/s1
InChIKeyJGUBHAMMANUHPU-PGRDOPGGSA-N
XLogP2.99
TPSA113.44 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine with MolForge

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Related Compounds

(1S,4S,5S)-2-[4-[[8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptan-5-ol
CID 156549899
(3R,4S)-3-methyl-1-[4-[[8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 156549864
(3R,4S)-3-fluoro-1-[4-[[8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol;molecular hydrogen
CID 156802209
(1S)-1-[(3S)-3-fluoro-1-[4-[[8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
CID 156550683
N-[2-(2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl)pyrimidin-4-yl]-5-propan-2-yl-8-[2-(1,2,4-triazol-4-yl)ethoxy]isoquinolin-3-amine
CID 166550085
1-[(2S)-2-[3-[[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]amino]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]isoquinolin-5-yl]azepan-1-yl]prop-2-en-1-one
CID 166465883
(4S)-3,3-difluoro-5,5-dimethyl-1-[4-[[8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 156550640
(3R,4S)-3-methoxy-3-methyl-1-[4-[[8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 156550619
(3S,4S,5R)-5-fluoro-4-methoxy-1-[4-[[8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]piperidin-3-ol
CID 156549911
N-[2-[(4R)-3,3-difluoro-4-(trideuteriomethoxy)piperidin-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-amine
CID 172773977
8-[(2S,3R)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-N-[2-[(3S)-3-methyl-1,4-oxazepan-4-yl]pyrimidin-4-yl]-5-propan-2-ylisoquinolin-3-amine
CID 156802341
(2S,4R)-2-methyl-1-[4-[[8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 156550522

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine?
The IUPAC name of N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine (CID 156802167) is N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine.
What is the SMILES notation for N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine?
The canonical SMILES for N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine is CC(C)c1ncc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(N4CC[C@H]5COC[C@H]54)n3)cc12.
What is the InChIKey of N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine?
The InChIKey is JGUBHAMMANUHPU-PGRDOPGGSA-N. The full InChI is InChI=1S/C26H33N7O3S/c1-16(2)25-19-8-24(28-9-20(19)21(10-29-25)32-11-17(12-32)15-37(3,34)35)30-23-4-6-27-26(31-23)33-7-5-18-13-36-14-22(18)33/h4,6,8-10,16-18,22H,5,7,11-15H2,1-3H3,(H,27,28,30,31)/t18-,22+/m0/s1.
What are the key properties of N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine?
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine has a molecular weight of 523.66 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]pyrimidin-4-yl]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine is sourced from PubChem (CID 156802167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).