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

C27H25F2N7O3S — CID 155403564

IUPACN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COCCN5)c4)ccc23)c1
InChIInChI=1S/C27H25F2N7O3S/c1-40(37,38)34-22-7-18(6-19(8-22)27-25(29)9-21(28)11-31-27)24-12-33-36-14-17(2-3-26(24)36)20-10-32-35(13-20)15-23-16-39-5-4-30-23/h2-3,6-14,23,30,34H,4-5,15-16H2,1H3
InChIKeyNUBDKNQVYWEMNA-UHFFFAOYSA-N
MW565.61 g/mol
LogP3.56
Rot. Bonds7

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

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (PubChem CID 155403564) has the molecular formula C27H25F2N7O3S and a molecular weight of 565.61 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
PubChem CID155403564
Molecular FormulaC27H25F2N7O3S
Molecular Weight565.61 g/mol
Exact Mass565.17
IUPAC NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COCCN5)c4)ccc23)c1
InChIInChI=1S/C27H25F2N7O3S/c1-40(37,38)34-22-7-18(6-19(8-22)27-25(29)9-21(28)11-31-27)24-12-33-36-14-17(2-3-26(24)36)20-10-32-35(13-20)15-23-16-39-5-4-30-23/h2-3,6-14,23,30,34H,4-5,15-16H2,1H3
InChIKeyNUBDKNQVYWEMNA-UHFFFAOYSA-N
XLogP3.56
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.61
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (CID 155403564) is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COCCN5)c4)ccc23)c1.
What is the InChIKey of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The InChIKey is NUBDKNQVYWEMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N7O3S/c1-40(37,38)34-22-7-18(6-19(8-22)27-25(29)9-21(28)11-31-27)24-12-33-36-14-17(2-3-26(24)36)20-10-32-35(13-20)15-23-16-39-5-4-30-23/h2-3,6-14,23,30,34H,4-5,15-16H2,1H3.
What are the key properties of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide has a molecular weight of 565.61 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 155403564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).