N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide

C23H24N6O3S — CID 91147491

IUPACN-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnn3ccc(N(c4ccccc4)N4CCOCC4)nc23)c1
InChIInChI=1S/C23H24N6O3S/c1-33(30,31)26-19-7-5-6-18(16-19)21-17-24-28-11-10-22(25-23(21)28)29(20-8-3-2-4-9-20)27-12-14-32-15-13-27/h2-11,16-17,26H,12-15H2,1H3
InChIKeyUMUAKAPWXNXWQR-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.15
Rot. Bonds6

About N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide

N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide (PubChem CID 91147491) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
PubChem CID91147491
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC NameN-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnn3ccc(N(c4ccccc4)N4CCOCC4)nc23)c1
InChIInChI=1S/C23H24N6O3S/c1-33(30,31)26-19-7-5-6-18(16-19)21-17-24-28-11-10-22(25-23(21)28)29(20-8-3-2-4-9-20)27-12-14-32-15-13-27/h2-11,16-17,26H,12-15H2,1H3
InChIKeyUMUAKAPWXNXWQR-UHFFFAOYSA-N
XLogP3.15
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide (CID 91147491) is N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cnn3ccc(N(c4ccccc4)N4CCOCC4)nc23)c1.
What is the InChIKey of N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide?
The InChIKey is UMUAKAPWXNXWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-33(30,31)26-19-7-5-6-18(16-19)21-17-24-28-11-10-22(25-23(21)28)29(20-8-3-2-4-9-20)27-12-14-32-15-13-27/h2-11,16-17,26H,12-15H2,1H3.
What are the key properties of N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide?
N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 91147491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).