N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide

C38H42N10O6S2 — CID 90011957

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2ccnc2c1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2nnnc2c1
InChIInChI=1S/C20H22N4O3S.C18H20N6O3S/c25-20(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;25-18(15-8-11-24-17(12-15)20-21-22-24)19-13-14-4-6-16(7-5-14)28(26,27)23-9-2-1-3-10-23/h4-9,12-14H,1-3,10-11,15H2,(H,22,25);4-8,11-12H,1-3,9-10,13H2,(H,19,25)
InChIKeyYZPZNGSIOVFJQQ-UHFFFAOYSA-N
MW798.95 g/mol
LogP3.67
Rot. Bonds10

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 90011957) has the molecular formula C38H42N10O6S2 and a molecular weight of 798.95 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]tetrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID90011957
Molecular FormulaC38H42N10O6S2
Molecular Weight798.95 g/mol
Exact Mass798.27
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2ccnc2c1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2nnnc2c1
InChIInChI=1S/C20H22N4O3S.C18H20N6O3S/c25-20(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;25-18(15-8-11-24-17(12-15)20-21-22-24)19-13-14-4-6-16(7-5-14)28(26,27)23-9-2-1-3-10-23/h4-9,12-14H,1-3,10-11,15H2,(H,22,25);4-8,11-12H,1-3,9-10,13H2,(H,19,25)
InChIKeyYZPZNGSIOVFJQQ-UHFFFAOYSA-N
XLogP3.67
TPSA193.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.95
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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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]tetrazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide (CID 90011957) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-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]tetrazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2ccnc2c1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2nnnc2c1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is YZPZNGSIOVFJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S.C18H20N6O3S/c25-20(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;25-18(15-8-11-24-17(12-15)20-21-22-24)19-13-14-4-6-16(7-5-14)28(26,27)23-9-2-1-3-10-23/h4-9,12-14H,1-3,10-11,15H2,(H,22,25);4-8,11-12H,1-3,9-10,13H2,(H,19,25).
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]tetrazolo[1,5-a]pyridine-7-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 798.95 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 12 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]tetrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 90011957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).