[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid

C19H16N6O3 — CID 174235787

IUPAC[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid
SMILESNc1ncccc1-c1nc2ccc(NC(=O)O)nc2n1-c1ccc(CO)cc1
InChIInChI=1S/C19H16N6O3/c20-16-13(2-1-9-21-16)17-22-14-7-8-15(24-19(27)28)23-18(14)25(17)12-5-3-11(10-26)4-6-12/h1-9,26H,10H2,(H2,20,21)(H,23,24)(H,27,28)
InChIKeyPBSGRIFTVDXGHY-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.65
Rot. Bonds4

About [2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid

[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid (PubChem CID 174235787) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is [2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid.

Molecular Properties

Compound Name[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid
PubChem CID174235787
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid
SMILESNc1ncccc1-c1nc2ccc(NC(=O)O)nc2n1-c1ccc(CO)cc1
InChIInChI=1S/C19H16N6O3/c20-16-13(2-1-9-21-16)17-22-14-7-8-15(24-19(27)28)23-18(14)25(17)12-5-3-11(10-26)4-6-12/h1-9,26H,10H2,(H2,20,21)(H,23,24)(H,27,28)
InChIKeyPBSGRIFTVDXGHY-UHFFFAOYSA-N
XLogP2.65
TPSA139.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171493964
[4-[2-(2-amino-3-pyridinyl)-5-(fluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171494619
lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
CID 58345222
[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171069078
2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine
CID 171599395
[4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495357
N-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetamide
CID 58344944
[4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171599493
3-[3-(4-tert-butylphenyl)-5-hydrazinylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345308
2-[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
CID 58344924
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid?
The IUPAC name of [2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid (CID 174235787) is [2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid.
What is the SMILES notation for [2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid?
The canonical SMILES for [2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid is Nc1ncccc1-c1nc2ccc(NC(=O)O)nc2n1-c1ccc(CO)cc1.
What is the InChIKey of [2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid?
The InChIKey is PBSGRIFTVDXGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c20-16-13(2-1-9-21-16)17-22-14-7-8-15(24-19(27)28)23-18(14)25(17)12-5-3-11(10-26)4-6-12/h1-9,26H,10H2,(H2,20,21)(H,23,24)(H,27,28).
What are the key properties of [2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid?
[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid has a molecular weight of 376.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid is sourced from PubChem (CID 174235787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).