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

C23H20N6OS — CID 118974292

IUPAC(7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine
SMILESC[C@@]1(c2cc(-c3cccc(-c4nnco4)c3)cs2)Cc2nc(C3CC3)ncc2C(N)=N1
InChIInChI=1S/C23H20N6OS/c1-23(9-18-17(20(24)28-23)10-25-21(27-18)13-5-6-13)19-8-16(11-31-19)14-3-2-4-15(7-14)22-29-26-12-30-22/h2-4,7-8,10-13H,5-6,9H2,1H3,(H2,24,28)/t23-/m0/s1
InChIKeyLTQVPMLCNOGJQO-QHCPKHFHSA-N
MW428.52 g/mol
LogP4.31
Rot. Bonds4

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

(7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 118974292) has the molecular formula C23H20N6OS and a molecular weight of 428.52 g/mol. Its IUPAC name is (7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name(7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine
PubChem CID118974292
Molecular FormulaC23H20N6OS
Molecular Weight428.52 g/mol
Exact Mass428.14
IUPAC Name(7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine
SMILESC[C@@]1(c2cc(-c3cccc(-c4nnco4)c3)cs2)Cc2nc(C3CC3)ncc2C(N)=N1
InChIInChI=1S/C23H20N6OS/c1-23(9-18-17(20(24)28-23)10-25-21(27-18)13-5-6-13)19-8-16(11-31-19)14-3-2-4-15(7-14)22-29-26-12-30-22/h2-4,7-8,10-13H,5-6,9H2,1H3,(H2,24,28)/t23-/m0/s1
InChIKeyLTQVPMLCNOGJQO-QHCPKHFHSA-N
XLogP4.31
TPSA103.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of (7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine (CID 118974292) is (7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for (7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for (7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine is C[C@@]1(c2cc(-c3cccc(-c4nnco4)c3)cs2)Cc2nc(C3CC3)ncc2C(N)=N1.
What is the InChIKey of (7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is LTQVPMLCNOGJQO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N6OS/c1-23(9-18-17(20(24)28-23)10-25-21(27-18)13-5-6-13)19-8-16(11-31-19)14-3-2-4-15(7-14)22-29-26-12-30-22/h2-4,7-8,10-13H,5-6,9H2,1H3,(H2,24,28)/t23-/m0/s1.
What are the key properties of (7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine?
(7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 428.52 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-cyclopropyl-7-methyl-7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8H-pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 118974292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).