3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C23H23N7 — CID 171068857

IUPAC3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1N1CC2CCC(C1)N2
InChIInChI=1S/C23H23N7/c24-21-18(7-4-12-25-21)22-28-20-11-10-19(15-5-2-1-3-6-15)27-23(20)30(22)29-13-16-8-9-17(14-29)26-16/h1-7,10-12,16-17,26H,8-9,13-14H2,(H2,24,25)
InChIKeyKFBRHCKMKSJLLC-UHFFFAOYSA-N
MW397.49 g/mol
LogP2.81
Rot. Bonds3

About 3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171068857) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is 3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171068857
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC Name3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1N1CC2CCC(C1)N2
InChIInChI=1S/C23H23N7/c24-21-18(7-4-12-25-21)22-28-20-11-10-19(15-5-2-1-3-6-15)27-23(20)30(22)29-13-16-8-9-17(14-29)26-16/h1-7,10-12,16-17,26H,8-9,13-14H2,(H2,24,25)
InChIKeyKFBRHCKMKSJLLC-UHFFFAOYSA-N
XLogP2.81
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-phenyl-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 171495630
3-[[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]amino]-2-methoxybenzaldehyde
CID 174252150
3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
CID 171496360
N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide
CID 171494417
3-[3-[4-[[(3S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495303
ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068731
3-[3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495429
3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068885
3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 174252226
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 174251026
3-[3-[4-[(4-aminopiperidin-1-yl)-dideuteriomethyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
CID 171494482

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171068857) is 3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1N1CC2CCC(C1)N2.
What is the InChIKey of 3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is KFBRHCKMKSJLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7/c24-21-18(7-4-12-25-21)22-28-20-11-10-19(15-5-2-1-3-6-15)27-23(20)30(22)29-13-16-8-9-17(14-29)26-16/h1-7,10-12,16-17,26H,8-9,13-14H2,(H2,24,25).
What are the key properties of 3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 397.49 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171068857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).