5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C25H30N6O3 — CID 164765585

IUPAC5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4CC5(CCC5)C4)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C25H30N6O3/c1-14(2)31-23(26)21(24(27)33)22(29-31)16-6-4-15(5-7-16)10-19(32)28-20-11-18(30-34-20)17-12-25(13-17)8-3-9-25/h4-7,11,14,17H,3,8-10,12-13,26H2,1-2H3,(H2,27,33)(H,28,32)
InChIKeyONVZAEBKVPXVPI-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.03
Rot. Bonds7

About 5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164765585) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID164765585
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4CC5(CCC5)C4)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C25H30N6O3/c1-14(2)31-23(26)21(24(27)33)22(29-31)16-6-4-15(5-7-16)10-19(32)28-20-11-18(30-34-20)17-12-25(13-17)8-3-9-25/h4-7,11,14,17H,3,8-10,12-13,26H2,1-2H3,(H2,27,33)(H,28,32)
InChIKeyONVZAEBKVPXVPI-UHFFFAOYSA-N
XLogP4.03
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 164765585) is 5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4CC5(CCC5)C4)no3)cc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ONVZAEBKVPXVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-14(2)31-23(26)21(24(27)33)22(29-31)16-6-4-15(5-7-16)10-19(32)28-20-11-18(30-34-20)17-12-25(13-17)8-3-9-25/h4-7,11,14,17H,3,8-10,12-13,26H2,1-2H3,(H2,27,33)(H,28,32).
What are the key properties of 5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164765585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).