5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide

C23H29N7O3 — CID 163292001

About 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide

5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide (PubChem CID 163292001) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide
• PubChem CID: 163292001
• Molecular Formula: C23H29N7O3
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.23
• IUPAC Name: 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide
• SMILES: CC(C)(C)Cc1cc(NC(=O)Cc2ccc(-c3nn(C4CNC4)c(N)c3C(N)=O)cc2)on1
• InChI: InChI=1S/C23H29N7O3/c1-23(2,3)10-15-9-18(33-29-15)27-17(31)8-13-4-6-14(7-5-13)20-19(22(25)32)21(24)30(28-20)16-11-26-12-16/h4-7,9,16,26H,8,10-12,24H2,1-3H3,(H2,25,32)(H,27,31)
• InChIKey: AEPNGWMBHPJSNO-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 154.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide?

The IUPAC name of 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide (CID 163292001) is 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide is CC(C)(C)Cc1cc(NC(=O)Cc2ccc(-c3nn(C4CNC4)c(N)c3C(N)=O)cc2)on1.

What is the InChIKey of 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide?

The InChIKey is AEPNGWMBHPJSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-23(2,3)10-15-9-18(33-29-15)27-17(31)8-13-4-6-14(7-5-13)20-19(22(25)32)21(24)30(28-20)16-11-26-12-16/h4-7,9,16,26H,8,10-12,24H2,1-3H3,(H2,25,32)(H,27,31).

What are the key properties of 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide?

5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.13, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 163292001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).