N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide

C24H30N6O4S — CID 57441921

IUPACN-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(NS(C)(=O)=O)cc3)nc2n1
InChIInChI=1S/C24H30N6O4S/c1-16-14-33-12-10-29(16)23-20-8-9-21(18-4-6-19(7-5-18)28-35(3,31)32)25-22(20)26-24(27-23)30-11-13-34-15-17(30)2/h4-9,16-17,28H,10-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyWONCJOCQAKRPOM-IRXDYDNUSA-N
MW498.61 g/mol
LogP2.51
Rot. Bonds5

About N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide

N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide (PubChem CID 57441921) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
PubChem CID57441921
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC NameN-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(NS(C)(=O)=O)cc3)nc2n1
InChIInChI=1S/C24H30N6O4S/c1-16-14-33-12-10-29(16)23-20-8-9-21(18-4-6-19(7-5-18)28-35(3,31)32)25-22(20)26-24(27-23)30-11-13-34-15-17(30)2/h4-9,16-17,28H,10-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyWONCJOCQAKRPOM-IRXDYDNUSA-N
XLogP2.51
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide (CID 57441921) is N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(NS(C)(=O)=O)cc3)nc2n1.
What is the InChIKey of N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The InChIKey is WONCJOCQAKRPOM-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-16-14-33-12-10-29(16)23-20-8-9-21(18-4-6-19(7-5-18)28-35(3,31)32)25-22(20)26-24(27-23)30-11-13-34-15-17(30)2/h4-9,16-17,28H,10-15H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide has a molecular weight of 498.61 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 57441921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).