3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C18H16N6O2S — CID 67312812

IUPAC3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNCS(=O)(=O)c1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
InChIInChI=1S/C18H16N6O2S/c19-11-27(25,26)13-7-5-12(6-8-13)24-17(14-3-1-9-21-16(14)20)23-15-4-2-10-22-18(15)24/h1-10H,11,19H2,(H2,20,21)
InChIKeyBKUBBNPVPUCQLU-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.75
Rot. Bonds4

About 3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 67312812) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID67312812
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNCS(=O)(=O)c1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
InChIInChI=1S/C18H16N6O2S/c19-11-27(25,26)13-7-5-12(6-8-13)24-17(14-3-1-9-21-16(14)20)23-15-4-2-10-22-18(15)24/h1-10H,11,19H2,(H2,20,21)
InChIKeyBKUBBNPVPUCQLU-UHFFFAOYSA-N
XLogP1.75
TPSA129.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
CID 58345222
N-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetamide
CID 58344944
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
3-[3-(4-propylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 170204603
3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345030
2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid
CID 67312274
3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171069116
3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171601152
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide
CID 58345214
[4-[2-(2-amino-3-pyridinyl)-5-(fluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171494619
2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide
CID 58345129
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide
CID 171494297

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 67312812) is 3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is NCS(=O)(=O)c1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1.
What is the InChIKey of 3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is BKUBBNPVPUCQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c19-11-27(25,26)13-7-5-12(6-8-13)24-17(14-3-1-9-21-16(14)20)23-15-4-2-10-22-18(15)24/h1-10H,11,19H2,(H2,20,21).
What are the key properties of 3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 380.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(aminomethylsulfonyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 67312812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).