N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C20H14BrN3O2S — CID 55975863

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C20H14BrN3O2S/c21-13-5-6-18-23-14(10-24(18)9-13)8-22-20(25)17-7-12-11-26-16-4-2-1-3-15(16)19(12)27-17/h1-7,9-10H,8,11H2,(H,22,25)
InChIKeyRGZUHLSIUGQTLJ-UHFFFAOYSA-N
MW440.32 g/mol
LogP4.65
Rot. Bonds3

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 55975863) has the molecular formula C20H14BrN3O2S and a molecular weight of 440.32 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID55975863
Molecular FormulaC20H14BrN3O2S
Molecular Weight440.32 g/mol
Exact Mass439.00
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C20H14BrN3O2S/c21-13-5-6-18-23-14(10-24(18)9-13)8-22-20(25)17-7-12-11-26-16-4-2-1-3-15(16)19(12)27-17/h1-7,9-10H,8,11H2,(H,22,25)
InChIKeyRGZUHLSIUGQTLJ-UHFFFAOYSA-N
XLogP4.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 55975863) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide is O=C(NCc1cn2cc(Br)ccc2n1)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is RGZUHLSIUGQTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O2S/c21-13-5-6-18-23-14(10-24(18)9-13)8-22-20(25)17-7-12-11-26-16-4-2-1-3-15(16)19(12)27-17/h1-7,9-10H,8,11H2,(H,22,25).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 440.32 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 55975863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).