5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine

C20H20N8O — CID 66828416

IUPAC5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C20H20N8O/c1-20(14-3-4-14,18-26-17(29-27-18)13-9-25-28(2)11-13)15-5-6-16(22-10-15)12-7-23-19(21)24-8-12/h5-11,14H,3-4H2,1-2H3,(H2,21,23,24)/t20-/m1/s1
InChIKeyCHCQOGZXIWPSNN-HXUWFJFHSA-N
MW388.44 g/mol
LogP2.62
Rot. Bonds5

About 5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 66828416) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID66828416
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C20H20N8O/c1-20(14-3-4-14,18-26-17(29-27-18)13-9-25-28(2)11-13)15-5-6-16(22-10-15)12-7-23-19(21)24-8-12/h5-11,14H,3-4H2,1-2H3,(H2,21,23,24)/t20-/m1/s1
InChIKeyCHCQOGZXIWPSNN-HXUWFJFHSA-N
XLogP2.62
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine (CID 66828416) is 5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine is Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1.
What is the InChIKey of 5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is CHCQOGZXIWPSNN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N8O/c1-20(14-3-4-14,18-26-17(29-27-18)13-9-25-28(2)11-13)15-5-6-16(22-10-15)12-7-23-19(21)24-8-12/h5-11,14H,3-4H2,1-2H3,(H2,21,23,24)/t20-/m1/s1.
What are the key properties of 5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 388.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66828416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).