N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide

C26H25F2N5O4S — CID 176892505

IUPACN-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3ccc(OCN4CCOCC4)cc23)c1)C1CC1
InChIInChI=1S/C26H25F2N5O4S/c27-19-12-24(28)26(29-14-19)18-9-17(10-20(11-18)31-38(34,35)22-1-2-22)23-15-30-33-4-3-21(13-25(23)33)37-16-32-5-7-36-8-6-32/h3-4,9-15,22,31H,1-2,5-8,16H2
InChIKeyZGLUSYPYWZGDCW-UHFFFAOYSA-N
MW541.58 g/mol
LogP3.91
Rot. Bonds8

About N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide

N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide (PubChem CID 176892505) has the molecular formula C26H25F2N5O4S and a molecular weight of 541.58 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
PubChem CID176892505
Molecular FormulaC26H25F2N5O4S
Molecular Weight541.58 g/mol
Exact Mass541.16
IUPAC NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3ccc(OCN4CCOCC4)cc23)c1)C1CC1
InChIInChI=1S/C26H25F2N5O4S/c27-19-12-24(28)26(29-14-19)18-9-17(10-20(11-18)31-38(34,35)22-1-2-22)23-15-30-33-4-3-21(13-25(23)33)37-16-32-5-7-36-8-6-32/h3-4,9-15,22,31H,1-2,5-8,16H2
InChIKeyZGLUSYPYWZGDCW-UHFFFAOYSA-N
XLogP3.91
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
CID 176892513
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
CID 155403297
N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
CID 91147491
5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide
CID 170348330
N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047897
4-[(3,5-difluoro-2-pyridinyl)methyl]morpholine
CID 171333753
N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide
CID 81313587
N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide
CID 79049357
3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine
CID 167607492
5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide
CID 169251096
5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methyl-3-piperidin-1-ylpropyl]-1,3-thiazole-2-carboxamide
CID 169251456
4-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)aniline
CID 177175604

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide (CID 176892505) is N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide is O=S(=O)(Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3ccc(OCN4CCOCC4)cc23)c1)C1CC1.
What is the InChIKey of N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide?
The InChIKey is ZGLUSYPYWZGDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O4S/c27-19-12-24(28)26(29-14-19)18-9-17(10-20(11-18)31-38(34,35)22-1-2-22)23-15-30-33-4-3-21(13-25(23)33)37-16-32-5-7-36-8-6-32/h3-4,9-15,22,31H,1-2,5-8,16H2.
What are the key properties of N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide?
N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 541.58 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 176892505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).