N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C44H38N8O6S3 — CID 159839180

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1nc2ccncc2s1.O=C(NCc1ccc(S(=O)(=O)c2cncc(N3CCCC3)c2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C24H23N5O3S.C20H15N3O3S2/c30-24(19-5-8-23-26-9-12-29(23)17-19)27-14-18-3-6-21(7-4-18)33(31,32)22-13-20(15-25-16-22)28-10-1-2-11-28;24-19(20-23-17-10-11-21-13-18(17)27-20)22-12-14-6-8-16(9-7-14)28(25,26)15-4-2-1-3-5-15/h3-9,12-13,15-17H,1-2,10-11,14H2,(H,27,30);1-11,13H,12H2,(H,22,24)
InChIKeyNOLUDFQHJRSEBC-UHFFFAOYSA-N
MW871.04 g/mol
LogP6.55
Rot. Bonds11

About N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 159839180) has the molecular formula C44H38N8O6S3 and a molecular weight of 871.04 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID159839180
Molecular FormulaC44H38N8O6S3
Molecular Weight871.04 g/mol
Exact Mass870.21
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1nc2ccncc2s1.O=C(NCc1ccc(S(=O)(=O)c2cncc(N3CCCC3)c2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C24H23N5O3S.C20H15N3O3S2/c30-24(19-5-8-23-26-9-12-29(23)17-19)27-14-18-3-6-21(7-4-18)33(31,32)22-13-20(15-25-16-22)28-10-1-2-11-28;24-19(20-23-17-10-11-21-13-18(17)27-20)22-12-14-6-8-16(9-7-14)28(25,26)15-4-2-1-3-5-15/h3-9,12-13,15-17H,1-2,10-11,14H2,(H,27,30);1-11,13H,12H2,(H,22,24)
InChIKeyNOLUDFQHJRSEBC-UHFFFAOYSA-N
XLogP6.55
TPSA185.69 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500871.04
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N,N-dicyclopropyl-7-[[5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4-methyl-1,3-thiazol-2-yl]amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
CID 89765129
2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 25265679
N-[[5-[[2-(dimethylamino)-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 89793554
N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118160902
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 25095747
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2,5-difluorophenyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588450
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(3,5-difluorophenyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588560
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(3-fluorophenyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588702
N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 88919753
N-[[4-(4-fluoro-2-methylphenyl)sulfonylphenyl]methyl]formamide;N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]-2-[2-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methylcarbamoyl]-5H-thieno[2,3-c]pyridin-6-yl]-1,3-benzothiazole-6-carboxamide
CID 88919765
N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012621
N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90013271

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 159839180) is N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1nc2ccncc2s1.O=C(NCc1ccc(S(=O)(=O)c2cncc(N3CCCC3)c2)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NOLUDFQHJRSEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S.C20H15N3O3S2/c30-24(19-5-8-23-26-9-12-29(23)17-19)27-14-18-3-6-21(7-4-18)33(31,32)22-13-20(15-25-16-22)28-10-1-2-11-28;24-19(20-23-17-10-11-21-13-18(17)27-20)22-12-14-6-8-16(9-7-14)28(25,26)15-4-2-1-3-5-15/h3-9,12-13,15-17H,1-2,10-11,14H2,(H,27,30);1-11,13H,12H2,(H,22,24).
What are the key properties of N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 871.04 g/mol, XLogP of 6.55, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonyl)phenyl]methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 159839180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).