6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C23H25N9O3 — CID 171524643

IUPAC6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCN(C)C(=O)Cc1ccc2nc(N3CC(c4cnc(Nc5cnn(C)c5)c(C(N)=O)n4)C3)oc2c1
InChIInChI=1S/C23H25N9O3/c1-30(2)19(33)7-13-4-5-16-18(6-13)35-23(29-16)32-10-14(11-32)17-9-25-22(20(28-17)21(24)34)27-15-8-26-31(3)12-15/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H2,24,34)(H,25,27)
InChIKeyIDWCYXNGJMJMSH-UHFFFAOYSA-N
MW475.51 g/mol
LogP1.43
Rot. Bonds7

About 6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 171524643) has the molecular formula C23H25N9O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is 6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID171524643
Molecular FormulaC23H25N9O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC Name6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCN(C)C(=O)Cc1ccc2nc(N3CC(c4cnc(Nc5cnn(C)c5)c(C(N)=O)n4)C3)oc2c1
InChIInChI=1S/C23H25N9O3/c1-30(2)19(33)7-13-4-5-16-18(6-13)35-23(29-16)32-10-14(11-32)17-9-25-22(20(28-17)21(24)34)27-15-8-26-31(3)12-15/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H2,24,34)(H,25,27)
InChIKeyIDWCYXNGJMJMSH-UHFFFAOYSA-N
XLogP1.43
TPSA148.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide 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 6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 171524643) is 6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is CN(C)C(=O)Cc1ccc2nc(N3CC(c4cnc(Nc5cnn(C)c5)c(C(N)=O)n4)C3)oc2c1.
What is the InChIKey of 6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is IDWCYXNGJMJMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O3/c1-30(2)19(33)7-13-4-5-16-18(6-13)35-23(29-16)32-10-14(11-32)17-9-25-22(20(28-17)21(24)34)27-15-8-26-31(3)12-15/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H2,24,34)(H,25,27).
What are the key properties of 6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-[2-(dimethylamino)-2-oxoethyl]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 171524643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).