6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H28FN5O4S — CID 118590610

IUPAC6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCN(C)S(=O)(=O)NC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC)cn12
InChIInChI=1S/C23H28FN5O4S/c1-4-11-27(2)34(31,32)26-23(30)20-14-25-22-10-8-17(15-29(20)22)28-12-5-6-19(28)18-13-16(24)7-9-21(18)33-3/h7-10,13-15,19H,4-6,11-12H2,1-3H3,(H,26,30)/t19-/m1/s1
InChIKeyREVIWBNDKYXKLC-LJQANCHMSA-N
MW489.57 g/mol
LogP3.14
Rot. Bonds8

About 6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide

6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590610) has the molecular formula C23H28FN5O4S and a molecular weight of 489.57 g/mol. Its IUPAC name is 6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118590610
Molecular FormulaC23H28FN5O4S
Molecular Weight489.57 g/mol
Exact Mass489.18
IUPAC Name6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCN(C)S(=O)(=O)NC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC)cn12
InChIInChI=1S/C23H28FN5O4S/c1-4-11-27(2)34(31,32)26-23(30)20-14-25-22-10-8-17(15-29(20)22)28-12-5-6-19(28)18-13-16(24)7-9-21(18)33-3/h7-10,13-15,19H,4-6,11-12H2,1-3H3,(H,26,30)/t19-/m1/s1
InChIKeyREVIWBNDKYXKLC-LJQANCHMSA-N
XLogP3.14
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590391
N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590596
6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
CID 118590455
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144985682
6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
CID 118590304
6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
CID 118590306
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
CID 118590605
6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 118590619
N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590576
N-[cyclopropyl(methyl)sulfamoyl]-6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590499
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127779
6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590295

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118590610) is 6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide is CCCN(C)S(=O)(=O)NC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC)cn12.
What is the InChIKey of 6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is REVIWBNDKYXKLC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28FN5O4S/c1-4-11-27(2)34(31,32)26-23(30)20-14-25-22-10-8-17(15-29(20)22)28-12-5-6-19(28)18-13-16(24)7-9-21(18)33-3/h7-10,13-15,19H,4-6,11-12H2,1-3H3,(H,26,30)/t19-/m1/s1.
What are the key properties of 6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 489.57 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-N-[methyl(propyl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).