N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C27H34FN5O5S — CID 122429421

IUPACN-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3OC3(C)CCOCC3)cc12
InChIInChI=1S/C27H34FN5O5S/c1-4-31(3)39(35,36)30-26(34)22-18-29-33-13-9-20(17-24(22)33)32-12-5-6-23(32)21-16-19(28)7-8-25(21)38-27(2)10-14-37-15-11-27/h7-9,13,16-18,23H,4-6,10-12,14-15H2,1-3H3,(H,30,34)
InChIKeyDXIJPMJAKZYUKI-UHFFFAOYSA-N
MW559.66 g/mol
LogP3.69
Rot. Bonds8

About N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 122429421) has the molecular formula C27H34FN5O5S and a molecular weight of 559.66 g/mol. Its IUPAC name is N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID122429421
Molecular FormulaC27H34FN5O5S
Molecular Weight559.66 g/mol
Exact Mass559.23
IUPAC NameN-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3OC3(C)CCOCC3)cc12
InChIInChI=1S/C27H34FN5O5S/c1-4-31(3)39(35,36)30-26(34)22-18-29-33-13-9-20(17-24(22)33)32-12-5-6-23(32)21-16-19(28)7-8-25(21)38-27(2)10-14-37-15-11-27/h7-9,13,16-18,23H,4-6,10-12,14-15H2,1-3H3,(H,30,34)
InChIKeyDXIJPMJAKZYUKI-UHFFFAOYSA-N
XLogP3.69
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.66
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 122429421) is N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3OC3(C)CCOCC3)cc12.
What is the InChIKey of N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DXIJPMJAKZYUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O5S/c1-4-31(3)39(35,36)30-26(34)22-18-29-33-13-9-20(17-24(22)33)32-12-5-6-23(32)21-16-19(28)7-8-25(21)38-27(2)10-14-37-15-11-27/h7-9,13,16-18,23H,4-6,10-12,14-15H2,1-3H3,(H,30,34).
What are the key properties of N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 559.66 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(methyl)sulfamoyl]-5-[2-[5-fluoro-2-(4-methyloxan-4-yl)oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 122429421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).