(2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide

C20H18N6O3 — CID 70798705

IUPAC(2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12
InChIInChI=1S/C20H18N6O3/c21-18(27)14-2-1-7-25(14)19(28)15-9-23-17-6-4-12(10-26(15)17)11-3-5-16-13(8-11)24-20(22)29-16/h3-6,8-10,14H,1-2,7H2,(H2,21,27)(H2,22,24)/t14-/m0/s1
InChIKeyANVGIDSNUGKCAI-AWEZNQCLSA-N
MW390.40 g/mol
LogP1.81
Rot. Bonds3

About (2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide

(2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 70798705) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is (2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID70798705
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name(2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12
InChIInChI=1S/C20H18N6O3/c21-18(27)14-2-1-7-25(14)19(28)15-9-23-17-6-4-12(10-26(15)17)11-3-5-16-13(8-11)24-20(22)29-16/h3-6,8-10,14H,1-2,7H2,(H2,21,27)(H2,22,24)/t14-/m0/s1
InChIKeyANVGIDSNUGKCAI-AWEZNQCLSA-N
XLogP1.81
TPSA132.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide (CID 70798705) is (2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12.
What is the InChIKey of (2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is ANVGIDSNUGKCAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18N6O3/c21-18(27)14-2-1-7-25(14)19(28)15-9-23-17-6-4-12(10-26(15)17)11-3-5-16-13(8-11)24-20(22)29-16/h3-6,8-10,14H,1-2,7H2,(H2,21,27)(H2,22,24)/t14-/m0/s1.
What are the key properties of (2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
(2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70798705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).