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

C27H31F2N5O5S — CID 118590499

IUPACN-[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
SMILESCN(C1CC1)S(=O)(=O)NC(=O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cn12
InChIInChI=1S/C27H31F2N5O5S/c1-32(19-3-4-19)40(36,37)31-27(35)24-14-30-26-7-5-20(16-34(24)26)33-15-18(29)13-23(33)22-12-17(28)2-6-25(22)39-21-8-10-38-11-9-21/h2,5-7,12,14,16,18-19,21,23H,3-4,8-11,13,15H2,1H3,(H,31,35)/t18-,23+/m0/s1
InChIKeyIBPYPOMNNLFYLH-FDDCHVKYSA-N
MW575.64 g/mol
LogP3.39
Rot. Bonds8

About 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

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 (PubChem CID 118590499) has the molecular formula C27H31F2N5O5S and a molecular weight of 575.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID118590499
Molecular FormulaC27H31F2N5O5S
Molecular Weight575.64 g/mol
Exact Mass575.20
IUPAC NameN-[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
SMILESCN(C1CC1)S(=O)(=O)NC(=O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cn12
InChIInChI=1S/C27H31F2N5O5S/c1-32(19-3-4-19)40(36,37)31-27(35)24-14-30-26-7-5-20(16-34(24)26)33-15-18(29)13-23(33)22-12-17(28)2-6-25(22)39-21-8-10-38-11-9-21/h2,5-7,12,14,16,18-19,21,23H,3-4,8-11,13,15H2,1H3,(H,31,35)/t18-,23+/m0/s1
InChIKeyIBPYPOMNNLFYLH-FDDCHVKYSA-N
XLogP3.39
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.64
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C1CC1)S(=O)(=O)NC(=O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cn12.
What is the InChIKey of 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?
The InChIKey is IBPYPOMNNLFYLH-FDDCHVKYSA-N. The full InChI is InChI=1S/C27H31F2N5O5S/c1-32(19-3-4-19)40(36,37)31-27(35)24-14-30-26-7-5-20(16-34(24)26)33-15-18(29)13-23(33)22-12-17(28)2-6-25(22)39-21-8-10-38-11-9-21/h2,5-7,12,14,16,18-19,21,23H,3-4,8-11,13,15H2,1H3,(H,31,35)/t18-,23+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 575.64 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118590499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).