3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C29H27N7 — CID 174252226

IUPAC3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CC3CC2CN3)cc1
InChIInChI=1S/C29H27N7/c30-27-24(7-4-14-31-27)28-34-26-13-12-25(20-5-2-1-3-6-20)33-29(26)36(28)22-10-8-19(9-11-22)17-35-18-21-15-23(35)16-32-21/h1-14,21,23,32H,15-18H2,(H2,30,31)
InChIKeyPYUOHSRZXJNJJE-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.28
Rot. Bonds5

About 3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 174252226) has the molecular formula C29H27N7 and a molecular weight of 473.58 g/mol. Its IUPAC name is 3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID174252226
Molecular FormulaC29H27N7
Molecular Weight473.58 g/mol
Exact Mass473.23
IUPAC Name3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CC3CC2CN3)cc1
InChIInChI=1S/C29H27N7/c30-27-24(7-4-14-31-27)28-34-26-13-12-25(20-5-2-1-3-6-20)33-29(26)36(28)22-10-8-19(9-11-22)17-35-18-21-15-23(35)16-32-21/h1-14,21,23,32H,15-18H2,(H2,30,31)
InChIKeyPYUOHSRZXJNJJE-UHFFFAOYSA-N
XLogP4.28
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(1R,4R)-5-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 174235774
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-[[(3S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495303
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-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-5-(3-methylcyclobuta-1,3-dien-1-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
CID 171494600
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
3-[3-[4-[(5-ethenylsulfonyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171563344
3-[3-[4-(chloromethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethene
CID 171103414
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
cyanamide;3-[5-phenyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171625744
ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068731
1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one
CID 171563522

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 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) is 3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CC3CC2CN3)cc1.
What is the InChIKey of 3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is PYUOHSRZXJNJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7/c30-27-24(7-4-14-31-27)28-34-26-13-12-25(20-5-2-1-3-6-20)33-29(26)36(28)22-10-8-19(9-11-22)17-35-18-21-15-23(35)16-32-21/h1-14,21,23,32H,15-18H2,(H2,30,31).
What are the key properties of 3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 473.58 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 174252226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).