3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C27H25N7 — CID 171068885

IUPAC3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CC(N)C2)cc1
InChIInChI=1S/C27H25N7/c28-20-16-33(17-20)15-18-8-10-21(11-9-18)34-26(22-7-4-14-30-25(22)29)32-24-13-12-23(31-27(24)34)19-5-2-1-3-6-19/h1-14,20H,15-17,28H2,(H2,29,30)
InChIKeyRKADFQZFYUEUNR-UHFFFAOYSA-N
MW447.55 g/mol
LogP3.87
Rot. Bonds5

About 3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171068885) has the molecular formula C27H25N7 and a molecular weight of 447.55 g/mol. Its IUPAC name is 3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171068885
Molecular FormulaC27H25N7
Molecular Weight447.55 g/mol
Exact Mass447.22
IUPAC Name3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CC(N)C2)cc1
InChIInChI=1S/C27H25N7/c28-20-16-33(17-20)15-18-8-10-21(11-9-18)34-26(22-7-4-14-30-25(22)29)32-24-13-12-23(31-27(24)34)19-5-2-1-3-6-19/h1-14,20H,15-17,28H2,(H2,29,30)
InChIKeyRKADFQZFYUEUNR-UHFFFAOYSA-N
XLogP3.87
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171068885) is 3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CC(N)C2)cc1.
What is the InChIKey of 3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is RKADFQZFYUEUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7/c28-20-16-33(17-20)15-18-8-10-21(11-9-18)34-26(22-7-4-14-30-25(22)29)32-24-13-12-23(31-27(24)34)19-5-2-1-3-6-19/h1-14,20H,15-17,28H2,(H2,29,30).
What are the key properties of 3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 447.55 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171068885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).