(7S)-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 130383108

IUPAC(7S)-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
SMILESCc1ncc2c(n1)C[C@@H](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)/t16-/m0/s1
InChIKeyBNKYYTKWXJYCRR-INIZCTEOSA-N
MW422.90 g/mol
LogP4.22
Rot. Bonds3

About (7S)-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

(7S)-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 130383108) has the molecular formula C20H15ClN6OS and a molecular weight of 422.90 g/mol. Its IUPAC name is (7S)-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 Name(7S)-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 CID130383108
Molecular FormulaC20H15ClN6OS
Molecular Weight422.90 g/mol
Exact Mass422.07
IUPAC Name(7S)-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
SMILESCc1ncc2c(n1)C[C@@H](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)/t16-/m0/s1
InChIKeyBNKYYTKWXJYCRR-INIZCTEOSA-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 (7S)-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 (7S)-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 (7S)-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 130383108) is (7S)-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 (7S)-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 (7S)-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)C[C@@H](c1sc(-c3cccc(-c4ncno4)c3)cc1Cl)N=C2N.
What is the InChIKey of (7S)-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-INIZCTEOSA-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)/t16-/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-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine?
(7S)-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 (7S)-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 130383108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).