5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

C26H29N7O3 — CID 58070495

IUPAC5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCc1cc(CN[C@H]2CCOC2)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2N)o1
InChIInChI=1S/C26H29N7O3/c1-15(2)33-13-18(5-7-22(33)34)21-12-29-24(27)23(30-21)26-32-31-25(36-26)20-6-4-17(10-16(20)3)11-28-19-8-9-35-14-19/h4-7,10,12-13,15,19,28H,8-9,11,14H2,1-3H3,(H2,27,29)/t19-/m0/s1
InChIKeyUYGQWQKWUCUTRC-IBGZPJMESA-N
MW487.56 g/mol
LogP3.37
Rot. Bonds7

About 5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 58070495) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID58070495
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCc1cc(CN[C@H]2CCOC2)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2N)o1
InChIInChI=1S/C26H29N7O3/c1-15(2)33-13-18(5-7-22(33)34)21-12-29-24(27)23(30-21)26-32-31-25(36-26)20-6-4-17(10-16(20)3)11-28-19-8-9-35-14-19/h4-7,10,12-13,15,19,28H,8-9,11,14H2,1-3H3,(H2,27,29)/t19-/m0/s1
InChIKeyUYGQWQKWUCUTRC-IBGZPJMESA-N
XLogP3.37
TPSA133.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (CID 58070495) is 5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is Cc1cc(CN[C@H]2CCOC2)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2N)o1.
What is the InChIKey of 5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is UYGQWQKWUCUTRC-IBGZPJMESA-N. The full InChI is InChI=1S/C26H29N7O3/c1-15(2)33-13-18(5-7-22(33)34)21-12-29-24(27)23(30-21)26-32-31-25(36-26)20-6-4-17(10-16(20)3)11-28-19-8-9-35-14-19/h4-7,10,12-13,15,19,28H,8-9,11,14H2,1-3H3,(H2,27,29)/t19-/m0/s1.
What are the key properties of 5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 487.56 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 58070495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).