6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C23H22ClFN6O2 — CID 122510533

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCN3CCOCC3)cn12
InChIInChI=1S/C23H22ClFN6O2/c24-17-11-15(1-3-18(17)25)21-22(30(14-28-21)6-5-29-7-9-33-10-8-29)16-2-4-20-27-12-19(23(26)32)31(20)13-16/h1-4,11-14H,5-10H2,(H2,26,32)
InChIKeyXDHCKUDABKHAOU-UHFFFAOYSA-N
MW468.92 g/mol
LogP3.09
Rot. Bonds6

About 6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510533) has the molecular formula C23H22ClFN6O2 and a molecular weight of 468.92 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510533
Molecular FormulaC23H22ClFN6O2
Molecular Weight468.92 g/mol
Exact Mass468.15
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCN3CCOCC3)cn12
InChIInChI=1S/C23H22ClFN6O2/c24-17-11-15(1-3-18(17)25)21-22(30(14-28-21)6-5-29-7-9-33-10-8-29)16-2-4-20-27-12-19(23(26)32)31(20)13-16/h1-4,11-14H,5-10H2,(H2,26,32)
InChIKeyXDHCKUDABKHAOU-UHFFFAOYSA-N
XLogP3.09
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510533) is 6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCN3CCOCC3)cn12.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XDHCKUDABKHAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6O2/c24-17-11-15(1-3-18(17)25)21-22(30(14-28-21)6-5-29-7-9-33-10-8-29)16-2-4-20-27-12-19(23(26)32)31(20)13-16/h1-4,11-14H,5-10H2,(H2,26,32).
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 468.92 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).