[6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

C26H23N5O3 — CID 50991429

IUPAC[6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cc2ncc(C(=O)N3CCOCC3)n2cc1-c1ccc2c(Nc3ccccc3)noc2c1
InChIInChI=1S/C26H23N5O3/c1-17-13-24-27-15-22(26(32)30-9-11-33-12-10-30)31(24)16-21(17)18-7-8-20-23(14-18)34-29-25(20)28-19-5-3-2-4-6-19/h2-8,13-16H,9-12H2,1H3,(H,28,29)
InChIKeyWMQGZYDGJIMWHU-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.67
Rot. Bonds4

About [6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

[6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 50991429) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is [6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID50991429
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name[6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cc2ncc(C(=O)N3CCOCC3)n2cc1-c1ccc2c(Nc3ccccc3)noc2c1
InChIInChI=1S/C26H23N5O3/c1-17-13-24-27-15-22(26(32)30-9-11-33-12-10-30)31(24)16-21(17)18-7-8-20-23(14-18)34-29-25(20)28-19-5-3-2-4-6-19/h2-8,13-16H,9-12H2,1H3,(H,28,29)
InChIKeyWMQGZYDGJIMWHU-UHFFFAOYSA-N
XLogP4.67
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone (CID 50991429) is [6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone is Cc1cc2ncc(C(=O)N3CCOCC3)n2cc1-c1ccc2c(Nc3ccccc3)noc2c1.
What is the InChIKey of [6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WMQGZYDGJIMWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-17-13-24-27-15-22(26(32)30-9-11-33-12-10-30)31(24)16-21(17)18-7-8-20-23(14-18)34-29-25(20)28-19-5-3-2-4-6-19/h2-8,13-16H,9-12H2,1H3,(H,28,29).
What are the key properties of [6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
[6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 453.50 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50991429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).