6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C23H23ClN6O2S — CID 90467916

IUPAC6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4csc(C)n4)cc3Cl)c(=O)n(C[C@H]3CNCCO3)c2n1
InChIInChI=1S/C23H23ClN6O2S/c1-13-28-20(12-33-13)14-3-4-17(19(24)8-14)18-7-15-9-27-23(25-2)29-21(15)30(22(18)31)11-16-10-26-5-6-32-16/h3-4,7-9,12,16,26H,5-6,10-11H2,1-2H3,(H,25,27,29)/t16-/m1/s1
InChIKeyOQHLEQMFSPMUAP-MRXNPFEDSA-N
MW483.00 g/mol
LogP3.57
Rot. Bonds5

About 6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90467916) has the molecular formula C23H23ClN6O2S and a molecular weight of 483.00 g/mol. Its IUPAC name is 6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID90467916
Molecular FormulaC23H23ClN6O2S
Molecular Weight483.00 g/mol
Exact Mass482.13
IUPAC Name6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4csc(C)n4)cc3Cl)c(=O)n(C[C@H]3CNCCO3)c2n1
InChIInChI=1S/C23H23ClN6O2S/c1-13-28-20(12-33-13)14-3-4-17(19(24)8-14)18-7-15-9-27-23(25-2)29-21(15)30(22(18)31)11-16-10-26-5-6-32-16/h3-4,7-9,12,16,26H,5-6,10-11H2,1-2H3,(H,25,27,29)/t16-/m1/s1
InChIKeyOQHLEQMFSPMUAP-MRXNPFEDSA-N
XLogP3.57
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.00
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 90467916) is 6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3ccc(-c4csc(C)n4)cc3Cl)c(=O)n(C[C@H]3CNCCO3)c2n1.
What is the InChIKey of 6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OQHLEQMFSPMUAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23ClN6O2S/c1-13-28-20(12-33-13)14-3-4-17(19(24)8-14)18-7-15-9-27-23(25-2)29-21(15)30(22(18)31)11-16-10-26-5-6-32-16/h3-4,7-9,12,16,26H,5-6,10-11H2,1-2H3,(H,25,27,29)/t16-/m1/s1.
What are the key properties of 6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 483.00 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90467916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).