N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide

C23H22F2N4O3 — CID 163380826

IUPACN-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccc4nccn4c3)cc2c1C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C23H22F2N4O3/c1-14-21(22(30)28-19-6-7-26-13-23(19,24)25)17-10-16(3-4-18(17)32-14)31-12-15-2-5-20-27-8-9-29(20)11-15/h2-5,8-11,19,26H,6-7,12-13H2,1H3,(H,28,30)
InChIKeyLBYPCJQQLTZFGN-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.69
Rot. Bonds5

About N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide

N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 163380826) has the molecular formula C23H22F2N4O3 and a molecular weight of 440.45 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide
PubChem CID163380826
Molecular FormulaC23H22F2N4O3
Molecular Weight440.45 g/mol
Exact Mass440.17
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccc4nccn4c3)cc2c1C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C23H22F2N4O3/c1-14-21(22(30)28-19-6-7-26-13-23(19,24)25)17-10-16(3-4-18(17)32-14)31-12-15-2-5-20-27-8-9-29(20)11-15/h2-5,8-11,19,26H,6-7,12-13H2,1H3,(H,28,30)
InChIKeyLBYPCJQQLTZFGN-UHFFFAOYSA-N
XLogP3.69
TPSA80.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide (CID 163380826) is N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccc4nccn4c3)cc2c1C(=O)NC1CCNCC1(F)F.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is LBYPCJQQLTZFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3/c1-14-21(22(30)28-19-6-7-26-13-23(19,24)25)17-10-16(3-4-18(17)32-14)31-12-15-2-5-20-27-8-9-29(20)11-15/h2-5,8-11,19,26H,6-7,12-13H2,1H3,(H,28,30).
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide?
N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).