2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide

C22H19F2N5O2S — CID 44539714

IUPAC2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1cccn2cc(-c3ccc(F)c(F)c3)nc12
InChIInChI=1S/C22H19F2N5O2S/c23-17-4-3-14(10-18(17)24)19-12-29-5-1-2-16(20(29)26-19)21(30)27-22-25-15(13-32-22)11-28-6-8-31-9-7-28/h1-5,10,12-13H,6-9,11H2,(H,25,27,30)
InChIKeyKKYLKBNZQPATSK-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.82
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide

2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 44539714) has the molecular formula C22H19F2N5O2S and a molecular weight of 455.49 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID44539714
Molecular FormulaC22H19F2N5O2S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC Name2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1cccn2cc(-c3ccc(F)c(F)c3)nc12
InChIInChI=1S/C22H19F2N5O2S/c23-17-4-3-14(10-18(17)24)19-12-29-5-1-2-16(20(29)26-19)21(30)27-22-25-15(13-32-22)11-28-6-8-31-9-7-28/h1-5,10,12-13H,6-9,11H2,(H,25,27,30)
InChIKeyKKYLKBNZQPATSK-UHFFFAOYSA-N
XLogP3.82
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide (CID 44539714) is 2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide is O=C(Nc1nc(CN2CCOCC2)cs1)c1cccn2cc(-c3ccc(F)c(F)c3)nc12.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is KKYLKBNZQPATSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2S/c23-17-4-3-14(10-18(17)24)19-12-29-5-1-2-16(20(29)26-19)21(30)27-22-25-15(13-32-22)11-28-6-8-31-9-7-28/h1-5,10,12-13H,6-9,11H2,(H,25,27,30).
What are the key properties of 2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?
2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 44539714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).