N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide

C23H25ClFN5O4S — CID 169144477

IUPACN-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide
SMILESCN1CC[C@H](Oc2cnc(-c3cc(C(=O)Nc4cc(Cl)cc(NS(C)(=O)=O)c4)cn3C)c(F)c2)C1
InChIInChI=1S/C23H25ClFN5O4S/c1-29-5-4-18(13-29)34-19-10-20(25)22(26-11-19)21-6-14(12-30(21)2)23(31)27-16-7-15(24)8-17(9-16)28-35(3,32)33/h6-12,18,28H,4-5,13H2,1-3H3,(H,27,31)/t18-/m0/s1
InChIKeyCGMZWTIRGRVJPA-SFHVURJKSA-N
MW522.00 g/mol
LogP3.59
Rot. Bonds7

About N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide (PubChem CID 169144477) has the molecular formula C23H25ClFN5O4S and a molecular weight of 522.00 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide
PubChem CID169144477
Molecular FormulaC23H25ClFN5O4S
Molecular Weight522.00 g/mol
Exact Mass521.13
IUPAC NameN-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide
SMILESCN1CC[C@H](Oc2cnc(-c3cc(C(=O)Nc4cc(Cl)cc(NS(C)(=O)=O)c4)cn3C)c(F)c2)C1
InChIInChI=1S/C23H25ClFN5O4S/c1-29-5-4-18(13-29)34-19-10-20(25)22(26-11-19)21-6-14(12-30(21)2)23(31)27-16-7-15(24)8-17(9-16)28-35(3,32)33/h6-12,18,28H,4-5,13H2,1-3H3,(H,27,31)/t18-/m0/s1
InChIKeyCGMZWTIRGRVJPA-SFHVURJKSA-N
XLogP3.59
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.00
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 176899170
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
CID 170116997
4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063683
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide
CID 169144424
N-[3-chloro-5-(methanesulfonamido)phenyl]-1-[(2S)-2-phenylmethoxycyclobutyl]pyrazole-4-carboxamide
CID 169144731
1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 167957425
N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide
CID 67168414
6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 167813272
[3-chloro-4-methyl-5-(1-methylpyrrolidin-3-yl)oxyphenyl]carbamic acid
CID 172837352
N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide
CID 169144957
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide (CID 169144477) is N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide is CN1CC[C@H](Oc2cnc(-c3cc(C(=O)Nc4cc(Cl)cc(NS(C)(=O)=O)c4)cn3C)c(F)c2)C1.
What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide?
The InChIKey is CGMZWTIRGRVJPA-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25ClFN5O4S/c1-29-5-4-18(13-29)34-19-10-20(25)22(26-11-19)21-6-14(12-30(21)2)23(31)27-16-7-15(24)8-17(9-16)28-35(3,32)33/h6-12,18,28H,4-5,13H2,1-3H3,(H,27,31)/t18-/m0/s1.
What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide?
N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 522.00 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 169144477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).