N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C22H21N7O4S — CID 71726746

IUPACN-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cnc(N3CCOCC3)nc2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C22H21N7O4S/c30-21(16-1-4-20-23-5-6-29(20)15-16)25-11-17-2-3-18(12-24-17)34(31,32)19-13-26-22(27-14-19)28-7-9-33-10-8-28/h1-6,12-15H,7-11H2,(H,25,30)
InChIKeyNLSHXLSLTKPDKG-UHFFFAOYSA-N
MW479.52 g/mol
LogP1.12
Rot. Bonds6

About N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 71726746) has the molecular formula C22H21N7O4S and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID71726746
Molecular FormulaC22H21N7O4S
Molecular Weight479.52 g/mol
Exact Mass479.14
IUPAC NameN-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cnc(N3CCOCC3)nc2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C22H21N7O4S/c30-21(16-1-4-20-23-5-6-29(20)15-16)25-11-17-2-3-18(12-24-17)34(31,32)19-13-26-22(27-14-19)28-7-9-33-10-8-28/h1-6,12-15H,7-11H2,(H,25,30)
InChIKeyNLSHXLSLTKPDKG-UHFFFAOYSA-N
XLogP1.12
TPSA131.68 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66609540
N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 68277492
N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71819152
Morpholin-4-yl-[3-[6-(piperidin-4-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methanone
CID 44448942
N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 56943401
N-(4-(phenylsulfonyl)benzyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 66610605
N-(4-(Phenylsulfonyl)butyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 76311094
N-methyl-4-(2-methylsulfonylanilino)-6-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 155535920
N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71726493
N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71726494
N-[[5-[5-(trifluoromethyl)pyridin-3-yl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71726744
N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71727927

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 71726746) is N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cnc(N3CCOCC3)nc2)cn1)c1ccc2nccn2c1.
What is the InChIKey of N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NLSHXLSLTKPDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O4S/c30-21(16-1-4-20-23-5-6-29(20)15-16)25-11-17-2-3-18(12-24-17)34(31,32)19-13-26-22(27-14-19)28-7-9-33-10-8-28/h1-6,12-15H,7-11H2,(H,25,30).
What are the key properties of N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-morpholin-4-ylpyrimidin-5-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 71726746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).