4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C20H20BrN7O — CID 135336104

IUPAC4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@H](C)Oc1ccc(Br)cn1
InChIInChI=1S/C20H20BrN7O/c1-11(29-19-6-3-14(21)9-24-19)10-28-12(2)25-16-5-4-15(26-20(16)28)13-7-17(22)27-18(23)8-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)/t11-/m0/s1
InChIKeyBUDWOMQHDKOMHR-NSHDSACASA-N
MW454.33 g/mol
LogP3.59
Rot. Bonds5

About 4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135336104) has the molecular formula C20H20BrN7O and a molecular weight of 454.33 g/mol. Its IUPAC name is 4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135336104
Molecular FormulaC20H20BrN7O
Molecular Weight454.33 g/mol
Exact Mass453.09
IUPAC Name4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@H](C)Oc1ccc(Br)cn1
InChIInChI=1S/C20H20BrN7O/c1-11(29-19-6-3-14(21)9-24-19)10-28-12(2)25-16-5-4-15(26-20(16)28)13-7-17(22)27-18(23)8-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)/t11-/m0/s1
InChIKeyBUDWOMQHDKOMHR-NSHDSACASA-N
XLogP3.59
TPSA117.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

Gdc-0425
CID 58266779
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
4-[3-[2-(6-Bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335953
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
8-Bromo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]-6-methylimidazo[1,2-a]pyridine
CID 11661609
3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71520979
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
CID 10172593
2-(4-Bromo-phenyl)-1-(4-methoxy-benzyl)-1H-imidazo[1,2-a]pyridin-4-ylium
CID 12005561
4-[2-(4-Benzyl-phenoxy)-ethyl]-4H-imidazo[4,5-b]pyridine
CID 18678229

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135336104) is 4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@H](C)Oc1ccc(Br)cn1.
What is the InChIKey of 4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is BUDWOMQHDKOMHR-NSHDSACASA-N. The full InChI is InChI=1S/C20H20BrN7O/c1-11(29-19-6-3-14(21)9-24-19)10-28-12(2)25-16-5-4-15(26-20(16)28)13-7-17(22)27-18(23)8-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)/t11-/m0/s1.
What are the key properties of 4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 454.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135336104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).