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

C30H27F2N5O — CID 71667102

IUPAC2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCN1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C30H27F2N5O/c31-26-14-20(7-8-25(26)30(38)36-16-23-5-1-2-10-33-23)22-15-27(32)29-35-17-24(37(29)18-22)13-19-6-9-28-21(12-19)4-3-11-34-28/h3-4,6-9,11-12,14-15,17-18,23,33H,1-2,5,10,13,16H2,(H,36,38)
InChIKeyRBMXCWNRSJYYIJ-UHFFFAOYSA-N
MW511.58 g/mol
LogP5.29
Rot. Bonds6

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

2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 71667102) has the molecular formula C30H27F2N5O and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide
PubChem CID71667102
Molecular FormulaC30H27F2N5O
Molecular Weight511.58 g/mol
Exact Mass511.22
IUPAC Name2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCN1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C30H27F2N5O/c31-26-14-20(7-8-25(26)30(38)36-16-23-5-1-2-10-33-23)22-15-27(32)29-35-17-24(37(29)18-22)13-19-6-9-28-21(12-19)4-3-11-34-28/h3-4,6-9,11-12,14-15,17-18,23,33H,1-2,5,10,13,16H2,(H,36,38)
InChIKeyRBMXCWNRSJYYIJ-UHFFFAOYSA-N
XLogP5.29
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide (CID 71667102) is 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide is O=C(NCC1CCCCN1)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-(piperidin-2-ylmethyl)benzamide?
The InChIKey is RBMXCWNRSJYYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N5O/c31-26-14-20(7-8-25(26)30(38)36-16-23-5-1-2-10-33-23)22-15-27(32)29-35-17-24(37(29)18-22)13-19-6-9-28-21(12-19)4-3-11-34-28/h3-4,6-9,11-12,14-15,17-18,23,33H,1-2,5,10,13,16H2,(H,36,38).
What are the key properties of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide?
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 511.58 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 71667102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).