N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide

C34H31F2N7O3S — CID 155403286

IUPACN-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COCCN5Cc5ccccc5)c4)ccc23)c1
InChIInChI=1S/C34H31F2N7O3S/c1-47(44,45)40-29-12-25(11-26(13-29)34-32(36)14-28(35)16-37-34)31-17-39-43-20-24(7-8-33(31)43)27-15-38-42(19-27)21-30-22-46-10-9-41(30)18-23-5-3-2-4-6-23/h2-8,11-17,19-20,30,40H,9-10,18,21-22H2,1H3
InChIKeyDNWABZCRXYYDAD-UHFFFAOYSA-N
MW655.73 g/mol
LogP5.48
Rot. Bonds9

About N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide

N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide (PubChem CID 155403286) has the molecular formula C34H31F2N7O3S and a molecular weight of 655.73 g/mol. Its IUPAC name is N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide
PubChem CID155403286
Molecular FormulaC34H31F2N7O3S
Molecular Weight655.73 g/mol
Exact Mass655.22
IUPAC NameN-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COCCN5Cc5ccccc5)c4)ccc23)c1
InChIInChI=1S/C34H31F2N7O3S/c1-47(44,45)40-29-12-25(11-26(13-29)34-32(36)14-28(35)16-37-34)31-17-39-43-20-24(7-8-33(31)43)27-15-38-42(19-27)21-30-22-46-10-9-41(30)18-23-5-3-2-4-6-23/h2-8,11-17,19-20,30,40H,9-10,18,21-22H2,1H3
InChIKeyDNWABZCRXYYDAD-UHFFFAOYSA-N
XLogP5.48
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.73
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide (CID 155403286) is N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COCCN5Cc5ccccc5)c4)ccc23)c1.
What is the InChIKey of N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide?
The InChIKey is DNWABZCRXYYDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F2N7O3S/c1-47(44,45)40-29-12-25(11-26(13-29)34-32(36)14-28(35)16-37-34)31-17-39-43-20-24(7-8-33(31)43)27-15-38-42(19-27)21-30-22-46-10-9-41(30)18-23-5-3-2-4-6-23/h2-8,11-17,19-20,30,40H,9-10,18,21-22H2,1H3.
What are the key properties of N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide?
N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide has a molecular weight of 655.73 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[1-[(4-benzylmorpholin-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-5-(3,5-difluoro-2-pyridinyl)phenyl]methanesulfonamide is sourced from PubChem (CID 155403286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).