7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine

C20H15ClN6OS — CID 138546388

IUPAC7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)CC(c1sc(-c3cccc(-c4ncno4)c3)cc1Cl)N=C2N
InChIInChI=1S/C20H15ClN6OS/c1-10-23-8-13-15(26-10)7-16(27-19(13)22)18-14(21)6-17(29-18)11-3-2-4-12(5-11)20-24-9-25-28-20/h2-6,8-9,16H,7H2,1H3,(H2,22,27)
InChIKeyBNKYYTKWXJYCRR-UHFFFAOYSA-N
MW422.90 g/mol
LogP4.22
Rot. Bonds3

About 7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine

7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine (PubChem CID 138546388) has the molecular formula C20H15ClN6OS and a molecular weight of 422.90 g/mol. Its IUPAC name is 7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine
PubChem CID138546388
Molecular FormulaC20H15ClN6OS
Molecular Weight422.90 g/mol
Exact Mass422.07
IUPAC Name7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)CC(c1sc(-c3cccc(-c4ncno4)c3)cc1Cl)N=C2N
InChIInChI=1S/C20H15ClN6OS/c1-10-23-8-13-15(26-10)7-16(27-19(13)22)18-14(21)6-17(29-18)11-3-2-4-12(5-11)20-24-9-25-28-20/h2-6,8-9,16H,7H2,1H3,(H2,22,27)
InChIKeyBNKYYTKWXJYCRR-UHFFFAOYSA-N
XLogP4.22
TPSA103.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.90
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of 7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine (CID 138546388) is 7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine is Cc1ncc2c(n1)CC(c1sc(-c3cccc(-c4ncno4)c3)cc1Cl)N=C2N.
What is the InChIKey of 7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is BNKYYTKWXJYCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6OS/c1-10-23-8-13-15(26-10)7-16(27-19(13)22)18-14(21)6-17(29-18)11-3-2-4-12(5-11)20-24-9-25-28-20/h2-6,8-9,16H,7H2,1H3,(H2,22,27).
What are the key properties of 7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine?
7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 422.90 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-chloro-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 138546388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).