6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

C18H16N6O3 — CID 169085117

IUPAC6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)C(N)=O
InChIInChI=1S/C18H16N6O3/c1-9(16(19)25)22-17(26)13-7-21-15-5-3-11(8-24(13)15)10-2-4-14-12(6-10)23-18(20)27-14/h2-9H,1H3,(H2,19,25)(H2,20,23)(H,22,26)/t9-/m1/s1
InChIKeyBSQLZYLYNZVTMY-SECBINFHSA-N
MW364.37 g/mol
LogP1.33
Rot. Bonds4

About 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 169085117) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID169085117
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)C(N)=O
InChIInChI=1S/C18H16N6O3/c1-9(16(19)25)22-17(26)13-7-21-15-5-3-11(8-24(13)15)10-2-4-14-12(6-10)23-18(20)27-14/h2-9H,1H3,(H2,19,25)(H2,20,23)(H,22,26)/t9-/m1/s1
InChIKeyBSQLZYLYNZVTMY-SECBINFHSA-N
XLogP1.33
TPSA141.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 169085117) is 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is C[C@@H](NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)C(N)=O.
What is the InChIKey of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BSQLZYLYNZVTMY-SECBINFHSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-9(16(19)25)22-17(26)13-7-21-15-5-3-11(8-24(13)15)10-2-4-14-12(6-10)23-18(20)27-14/h2-9H,1H3,(H2,19,25)(H2,20,23)(H,22,26)/t9-/m1/s1.
What are the key properties of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2R)-1-amino-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 169085117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).