(7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine

C21H19ClN6OS — CID 138546407

IUPAC(7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)C[C@@](C)(c1sc(-c3cccc(-c4ncno4)c3)cc1Cl)NC2N
InChIInChI=1S/C21H19ClN6OS/c1-11-24-9-14-16(27-11)8-21(2,28-19(14)23)18-15(22)7-17(30-18)12-4-3-5-13(6-12)20-25-10-26-29-20/h3-7,9-10,19,28H,8,23H2,1-2H3/t19?,21-/m0/s1
InChIKeySJCHBZPJLRIDMR-QWAKEFERSA-N
MW438.94 g/mol
LogP4.24
Rot. Bonds3

About (7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine

(7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 138546407) has the molecular formula C21H19ClN6OS and a molecular weight of 438.94 g/mol. Its IUPAC name is (7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name(7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine
PubChem CID138546407
Molecular FormulaC21H19ClN6OS
Molecular Weight438.94 g/mol
Exact Mass438.10
IUPAC Name(7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)C[C@@](C)(c1sc(-c3cccc(-c4ncno4)c3)cc1Cl)NC2N
InChIInChI=1S/C21H19ClN6OS/c1-11-24-9-14-16(27-11)8-21(2,28-19(14)23)18-15(22)7-17(30-18)12-4-3-5-13(6-12)20-25-10-26-29-20/h3-7,9-10,19,28H,8,23H2,1-2H3/t19?,21-/m0/s1
InChIKeySJCHBZPJLRIDMR-QWAKEFERSA-N
XLogP4.24
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of (7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine (CID 138546407) is (7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for (7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for (7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine is Cc1ncc2c(n1)C[C@@](C)(c1sc(-c3cccc(-c4ncno4)c3)cc1Cl)NC2N.
What is the InChIKey of (7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is SJCHBZPJLRIDMR-QWAKEFERSA-N. The full InChI is InChI=1S/C21H19ClN6OS/c1-11-24-9-14-16(27-11)8-21(2,28-19(14)23)18-15(22)7-17(30-18)12-4-3-5-13(6-12)20-25-10-26-29-20/h3-7,9-10,19,28H,8,23H2,1-2H3/t19?,21-/m0/s1.
What are the key properties of (7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine?
(7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 438.94 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 138546407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).