N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide

C25H30FN5O7S2 — CID 178093964

IUPACN-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1c(F)cc(-c2cnc3cc(OC[C@@H](C)O)c(S(=O)(=O)C(C)(C)C)cn23)cc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C25H30FN5O7S2/c1-15(32)14-38-21-9-23-27-11-20(31(23)13-22(21)39(33,34)25(2,3)4)16-7-18(26)24(37-6)19(8-16)29-40(35,36)17-10-28-30(5)12-17/h7-13,15,29,32H,14H2,1-6H3/t15-/m1/s1
InChIKeyADAXQPCPLSVOIR-OAHLLOKOSA-N
MW595.68 g/mol
LogP3.02
Rot. Bonds9

About N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide

N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 178093964) has the molecular formula C25H30FN5O7S2 and a molecular weight of 595.68 g/mol. Its IUPAC name is N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
PubChem CID178093964
Molecular FormulaC25H30FN5O7S2
Molecular Weight595.68 g/mol
Exact Mass595.16
IUPAC NameN-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1c(F)cc(-c2cnc3cc(OC[C@@H](C)O)c(S(=O)(=O)C(C)(C)C)cn23)cc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C25H30FN5O7S2/c1-15(32)14-38-21-9-23-27-11-20(31(23)13-22(21)39(33,34)25(2,3)4)16-7-18(26)24(37-6)19(8-16)29-40(35,36)17-10-28-30(5)12-17/h7-13,15,29,32H,14H2,1-6H3/t15-/m1/s1
InChIKeyADAXQPCPLSVOIR-OAHLLOKOSA-N
XLogP3.02
TPSA154.12 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.68
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
CID 178094039
(2S)-1-[6-tert-butylsulfonyl-3-[3-[[ethylidene-[(2Z)-2-(methylhydrazinylidene)ethyl]-λ4-sulfanyl]amino]-5-fluoro-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol
CID 178094073
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide
CID 178094096
N-[5-(6-tert-butylsulfonyl-7-methoxyquinazolin-4-yl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 172631227
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide
CID 178185134
6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 172631531
N-[5-[6-[(1S)-1-hydroxyethyl]-8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-2,3-dimethoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 172631337
N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide
CID 172631787
3-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-methoxy-3-methylanilino]propan-1-ol
CID 170434857
3-[3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-fluoro-4-methoxyphenyl]-6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridine
CID 172631546
3-fluoro-2-methoxy-5-[7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(1-methylpyrazol-4-yl)sulfanylaniline
CID 172631641
2-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-7-methoxyindazol-1-yl]ethanol
CID 172631901

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide (CID 178093964) is N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide is COc1c(F)cc(-c2cnc3cc(OC[C@@H](C)O)c(S(=O)(=O)C(C)(C)C)cn23)cc1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is ADAXQPCPLSVOIR-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H30FN5O7S2/c1-15(32)14-38-21-9-23-27-11-20(31(23)13-22(21)39(33,34)25(2,3)4)16-7-18(26)24(37-6)19(8-16)29-40(35,36)17-10-28-30(5)12-17/h7-13,15,29,32H,14H2,1-6H3/t15-/m1/s1.
What are the key properties of N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide?
N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 595.68 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 178093964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).