4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one

C22H21BrN6O2 — CID 171749471

IUPAC4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
SMILESNc1nccc2c1n(-c1ccc(Oc3ccc(Br)cn3)cc1)c(=O)n2[C@@H]1CCCNC1
InChIInChI=1S/C22H21BrN6O2/c23-14-3-8-19(27-12-14)31-17-6-4-15(5-7-17)29-20-18(9-11-26-21(20)24)28(22(29)30)16-2-1-10-25-13-16/h3-9,11-12,16,25H,1-2,10,13H2,(H2,24,26)/t16-/m1/s1
InChIKeyGADKRRMKUVFUKA-MRXNPFEDSA-N
MW481.35 g/mol
LogP3.64
Rot. Bonds4

About 4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one

4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one (PubChem CID 171749471) has the molecular formula C22H21BrN6O2 and a molecular weight of 481.35 g/mol. Its IUPAC name is 4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
PubChem CID171749471
Molecular FormulaC22H21BrN6O2
Molecular Weight481.35 g/mol
Exact Mass480.09
IUPAC Name4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
SMILESNc1nccc2c1n(-c1ccc(Oc3ccc(Br)cn3)cc1)c(=O)n2[C@@H]1CCCNC1
InChIInChI=1S/C22H21BrN6O2/c23-14-3-8-19(27-12-14)31-17-6-4-15(5-7-17)29-20-18(9-11-26-21(20)24)28(22(29)30)16-2-1-10-25-13-16/h3-9,11-12,16,25H,1-2,10,13H2,(H2,24,26)/t16-/m1/s1
InChIKeyGADKRRMKUVFUKA-MRXNPFEDSA-N
XLogP3.64
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one (CID 171749471) is 4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one is Nc1nccc2c1n(-c1ccc(Oc3ccc(Br)cn3)cc1)c(=O)n2[C@@H]1CCCNC1.
What is the InChIKey of 4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is GADKRRMKUVFUKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21BrN6O2/c23-14-3-8-19(27-12-14)31-17-6-4-15(5-7-17)29-20-18(9-11-26-21(20)24)28(22(29)30)16-2-1-10-25-13-16/h3-9,11-12,16,25H,1-2,10,13H2,(H2,24,26)/t16-/m1/s1.
What are the key properties of 4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 481.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 171749471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).