N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide

C41H44N8O6S2 — CID 159625601

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2cnccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2ccnc2c1
InChIInChI=1S/C21H22N4O3S.C20H22N4O3S/c26-21(20-9-6-17-15-22-11-10-19(17)24-20)23-14-16-4-7-18(8-5-16)29(27,28)25-12-2-1-3-13-25;25-20(17-8-12-23-13-9-21-19(23)14-17)22-15-16-4-6-18(7-5-16)28(26,27)24-10-2-1-3-11-24/h4-11,15H,1-3,12-14H2,(H,23,26);4-9,12-14H,1-3,10-11,15H2,(H,22,25)
InChIKeyMOLGOOUUJNZELR-UHFFFAOYSA-N
MW808.99 g/mol
LogP5.17
Rot. Bonds10

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 159625601) has the molecular formula C41H44N8O6S2 and a molecular weight of 808.99 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
PubChem CID159625601
Molecular FormulaC41H44N8O6S2
Molecular Weight808.99 g/mol
Exact Mass808.28
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2cnccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2ccnc2c1
InChIInChI=1S/C21H22N4O3S.C20H22N4O3S/c26-21(20-9-6-17-15-22-11-10-19(17)24-20)23-14-16-4-7-18(8-5-16)29(27,28)25-12-2-1-3-13-25;25-20(17-8-12-23-13-9-21-19(23)14-17)22-15-16-4-6-18(7-5-16)28(26,27)24-10-2-1-3-11-24/h4-11,15H,1-3,12-14H2,(H,23,26);4-9,12-14H,1-3,10-11,15H2,(H,22,25)
InChIKeyMOLGOOUUJNZELR-UHFFFAOYSA-N
XLogP5.17
TPSA176.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.99
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[8-amino-3-[(7R,9aS)-4-oxo-2-(pyridine-4-carbonyl)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77107255
4-[[5-(4-Piperidin-1-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 86279820
[4-[[7-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone
CID 24750404
2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)-1-phenylethylamino)-N-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44432190
4-((2,4-Diaminopteridin-6-yl)methylamino)-N-(4-sulfamoylphenethyl)benzamide
CID 46913624
4-((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)-N-(4-sulfamoylphenethyl)-benzamide
CID 52942279
7-Cyclohexyl-2-[5-(1-oxo-octahydro-pyrido[1,2-a]pyrazin-2-yl)-pyridin-2-ylamino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide
CID 67380281
N-[8-morpholin-4-yl-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]quinoline-2-carboxamide
CID 86345529
N-methylsulfonyl-5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide
CID 123133229
4-amino-N-(6'-oxo-7',8'-dihydro-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-2'-yl)benzenesulfonamide
CID 162360287
3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 16018801
3-{2-Methyl-3H-imidazo[4,5-B]pyridin-3-YL}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 16022285

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide (CID 159625601) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2cnccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2ccnc2c1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is MOLGOOUUJNZELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S.C20H22N4O3S/c26-21(20-9-6-17-15-22-11-10-19(17)24-20)23-14-16-4-7-18(8-5-16)29(27,28)25-12-2-1-3-13-25;25-20(17-8-12-23-13-9-21-19(23)14-17)22-15-16-4-6-18(7-5-16)28(26,27)24-10-2-1-3-11-24/h4-11,15H,1-3,12-14H2,(H,23,26);4-9,12-14H,1-3,10-11,15H2,(H,22,25).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 808.99 g/mol, XLogP of 5.17, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 159625601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).