2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide

C30H27F2N5O2 — CID 71666672

IUPAC2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C30H27F2N5O2/c31-26-16-21(4-5-25(26)30(38)34-8-9-36-10-12-39-13-11-36)23-17-27(32)29-35-18-24(37(29)19-23)15-20-3-6-28-22(14-20)2-1-7-33-28/h1-7,14,16-19H,8-13,15H2,(H,34,38)
InChIKeyCHIDBYVEZDDKHB-UHFFFAOYSA-N
MW527.58 g/mol
LogP4.48
Rot. Bonds7

About 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide

2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 71666672) has the molecular formula C30H27F2N5O2 and a molecular weight of 527.58 g/mol. Its IUPAC name is 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID71666672
Molecular FormulaC30H27F2N5O2
Molecular Weight527.58 g/mol
Exact Mass527.21
IUPAC Name2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C30H27F2N5O2/c31-26-16-21(4-5-25(26)30(38)34-8-9-36-10-12-39-13-11-36)23-17-27(32)29-35-18-24(37(29)19-23)15-20-3-6-28-22(14-20)2-1-7-33-28/h1-7,14,16-19H,8-13,15H2,(H,34,38)
InChIKeyCHIDBYVEZDDKHB-UHFFFAOYSA-N
XLogP4.48
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.58
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 71666672) is 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F.
What is the InChIKey of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is CHIDBYVEZDDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N5O2/c31-26-16-21(4-5-25(26)30(38)34-8-9-36-10-12-39-13-11-36)23-17-27(32)29-35-18-24(37(29)19-23)15-20-3-6-28-22(14-20)2-1-7-33-28/h1-7,14,16-19H,8-13,15H2,(H,34,38).
What are the key properties of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide?
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 527.58 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 71666672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).