(7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine

C24H24N6OS — CID 130383113

IUPAC(7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)C[C@](c1sc(-c3cccc(-c4ncno4)c3)cc1C)(C(C)C)N=C2N
InChIInChI=1S/C24H24N6OS/c1-13(2)24(10-19-18(22(25)30-24)11-26-15(4)29-19)21-14(3)8-20(32-21)16-6-5-7-17(9-16)23-27-12-28-31-23/h5-9,11-13H,10H2,1-4H3,(H2,25,30)/t24-/m1/s1
InChIKeyPLGSCPQBJZJEJE-XMMPIXPASA-N
MW444.56 g/mol
LogP4.68
Rot. Bonds4

About (7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine

(7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 130383113) has the molecular formula C24H24N6OS and a molecular weight of 444.56 g/mol. Its IUPAC name is (7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name(7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine
PubChem CID130383113
Molecular FormulaC24H24N6OS
Molecular Weight444.56 g/mol
Exact Mass444.17
IUPAC Name(7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)C[C@](c1sc(-c3cccc(-c4ncno4)c3)cc1C)(C(C)C)N=C2N
InChIInChI=1S/C24H24N6OS/c1-13(2)24(10-19-18(22(25)30-24)11-26-15(4)29-19)21-14(3)8-20(32-21)16-6-5-7-17(9-16)23-27-12-28-31-23/h5-9,11-13H,10H2,1-4H3,(H2,25,30)/t24-/m1/s1
InChIKeyPLGSCPQBJZJEJE-XMMPIXPASA-N
XLogP4.68
TPSA103.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-[5-[1-[5-(4-Methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943834
5-[5-[1-[5-(3-Methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943935
US9868738, Example 42
CID 118974617
US9868738, Example 34
CID 118974292
US9868738, Example 29
CID 118974296
US9868738, Example 26
CID 118974562
5-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 25110303
3-(3-Methylpyridin-4-yl)-5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazole
CID 25110359
4-[5-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 59145453
N-[2-(5-fluoro-2,7-dimethyl-1-benzothiophen-3-yl)ethyl]-6-[4-(1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine
CID 156274003
Hydroxylamine;3-(3-methylpyridin-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 160048784
N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 44819096

Frequently Asked Questions

What is the IUPAC name of (7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of (7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine (CID 130383113) is (7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for (7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for (7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine is Cc1ncc2c(n1)C[C@](c1sc(-c3cccc(-c4ncno4)c3)cc1C)(C(C)C)N=C2N.
What is the InChIKey of (7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is PLGSCPQBJZJEJE-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24N6OS/c1-13(2)24(10-19-18(22(25)30-24)11-26-15(4)29-19)21-14(3)8-20(32-21)16-6-5-7-17(9-16)23-27-12-28-31-23/h5-9,11-13H,10H2,1-4H3,(H2,25,30)/t24-/m1/s1.
What are the key properties of (7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine?
(7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 444.56 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-methyl-7-[3-methyl-5-[3-(1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-7-propan-2-yl-8H-pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 130383113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).