N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide

C32H28N4O5S — CID 139886871

IUPACN,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3c(-c4ncco4)nn4ccccc34)cc2)cc1
InChIInChI=1S/C32H28N4O5S/c1-39-26-12-6-23(7-13-26)21-35(22-24-8-14-27(40-2)15-9-24)42(37,38)28-16-10-25(11-17-28)30-29-5-3-4-19-36(29)34-31(30)32-33-18-20-41-32/h3-20H,21-22H2,1-2H3
InChIKeyRXRKPXIILGOYFQ-UHFFFAOYSA-N
MW580.67 g/mol
LogP6.06
Rot. Bonds10

About N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide

N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide (PubChem CID 139886871) has the molecular formula C32H28N4O5S and a molecular weight of 580.67 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
PubChem CID139886871
Molecular FormulaC32H28N4O5S
Molecular Weight580.67 g/mol
Exact Mass580.18
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3c(-c4ncco4)nn4ccccc34)cc2)cc1
InChIInChI=1S/C32H28N4O5S/c1-39-26-12-6-23(7-13-26)21-35(22-24-8-14-27(40-2)15-9-24)42(37,38)28-16-10-25(11-17-28)30-29-5-3-4-19-36(29)34-31(30)32-33-18-20-41-32/h3-20H,21-22H2,1-2H3
InChIKeyRXRKPXIILGOYFQ-UHFFFAOYSA-N
XLogP6.06
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.67
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide (CID 139886871) is N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3c(-c4ncco4)nn4ccccc34)cc2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The InChIKey is RXRKPXIILGOYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O5S/c1-39-26-12-6-23(7-13-26)21-35(22-24-8-14-27(40-2)15-9-24)42(37,38)28-16-10-25(11-17-28)30-29-5-3-4-19-36(29)34-31(30)32-33-18-20-41-32/h3-20H,21-22H2,1-2H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide has a molecular weight of 580.67 g/mol, XLogP of 6.06, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 139886871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).