6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine

C23H25N9 — CID 156640888

IUPAC6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
SMILESC=C(c1ccc2c(c1)NNN2)N1CC(N2Cc3cnc(Nc4cncc(C)c4)nc3C2)C1
InChIInChI=1S/C23H25N9/c1-14-5-18(9-24-7-14)26-23-25-8-17-10-32(13-22(17)27-23)19-11-31(12-19)15(2)16-3-4-20-21(6-16)29-30-28-20/h3-9,19,28-30H,2,10-13H2,1H3,(H,25,26,27)
InChIKeyPJDIPICLFCRJQF-UHFFFAOYSA-N
MW427.52 g/mol
LogP2.85
Rot. Bonds5

About 6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine

6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 156640888) has the molecular formula C23H25N9 and a molecular weight of 427.52 g/mol. Its IUPAC name is 6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
PubChem CID156640888
Molecular FormulaC23H25N9
Molecular Weight427.52 g/mol
Exact Mass427.22
IUPAC Name6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
SMILESC=C(c1ccc2c(c1)NNN2)N1CC(N2Cc3cnc(Nc4cncc(C)c4)nc3C2)C1
InChIInChI=1S/C23H25N9/c1-14-5-18(9-24-7-14)26-23-25-8-17-10-32(13-22(17)27-23)19-11-31(12-19)15(2)16-3-4-20-21(6-16)29-30-28-20/h3-9,19,28-30H,2,10-13H2,1H3,(H,25,26,27)
InChIKeyPJDIPICLFCRJQF-UHFFFAOYSA-N
XLogP2.85
TPSA93.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The IUPAC name of 6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine (CID 156640888) is 6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine is C=C(c1ccc2c(c1)NNN2)N1CC(N2Cc3cnc(Nc4cncc(C)c4)nc3C2)C1.
What is the InChIKey of 6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The InChIKey is PJDIPICLFCRJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9/c1-14-5-18(9-24-7-14)26-23-25-8-17-10-32(13-22(17)27-23)19-11-31(12-19)15(2)16-3-4-20-21(6-16)29-30-28-20/h3-9,19,28-30H,2,10-13H2,1H3,(H,25,26,27).
What are the key properties of 6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 427.52 g/mol, XLogP of 2.85, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-(2,3-dihydro-1H-benzotriazol-5-yl)ethenyl]azetidin-3-yl]-N-(5-methyl-3-pyridinyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 156640888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).