4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid

C17H20N6O3 — CID 139831398

IUPAC4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid
SMILESCc1ncc(Cn2c(NC3CCN(C(=O)O)CC3)nc3cccnc32)o1
InChIInChI=1S/C17H20N6O3/c1-11-19-9-13(26-11)10-23-15-14(3-2-6-18-15)21-16(23)20-12-4-7-22(8-5-12)17(24)25/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,20,21)(H,24,25)
InChIKeyHZRFTHNOUNMKQS-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.33
Rot. Bonds4

About 4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid

4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 139831398) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID139831398
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid
SMILESCc1ncc(Cn2c(NC3CCN(C(=O)O)CC3)nc3cccnc32)o1
InChIInChI=1S/C17H20N6O3/c1-11-19-9-13(26-11)10-23-15-14(3-2-6-18-15)21-16(23)20-12-4-7-22(8-5-12)17(24)25/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,20,21)(H,24,25)
InChIKeyHZRFTHNOUNMKQS-UHFFFAOYSA-N
XLogP2.33
TPSA109.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid (CID 139831398) is 4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid is Cc1ncc(Cn2c(NC3CCN(C(=O)O)CC3)nc3cccnc32)o1.
What is the InChIKey of 4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is HZRFTHNOUNMKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-11-19-9-13(26-11)10-23-15-14(3-2-6-18-15)21-16(23)20-12-4-7-22(8-5-12)17(24)25/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,20,21)(H,24,25).
What are the key properties of 4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid?
4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 356.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 139831398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).