3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide

C22H24N8O3 — CID 171524633

IUPAC3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)n1cc(Nc2ncc(C3CN(c4nc5ccc(O)cc5o4)C3)nc2C(N)=O)cn1
InChIInChI=1S/C22H24N8O3/c1-22(2,3)30-11-13(7-25-30)26-20-18(19(23)32)27-16(8-24-20)12-9-29(10-12)21-28-15-5-4-14(31)6-17(15)33-21/h4-8,11-12,31H,9-10H2,1-3H3,(H2,23,32)(H,24,26)
InChIKeyUVFAHKNVVNVHCW-UHFFFAOYSA-N
MW448.49 g/mol
LogP2.72
Rot. Bonds5

About 3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide

3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide (PubChem CID 171524633) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide
PubChem CID171524633
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)n1cc(Nc2ncc(C3CN(c4nc5ccc(O)cc5o4)C3)nc2C(N)=O)cn1
InChIInChI=1S/C22H24N8O3/c1-22(2,3)30-11-13(7-25-30)26-20-18(19(23)32)27-16(8-24-20)12-9-29(10-12)21-28-15-5-4-14(31)6-17(15)33-21/h4-8,11-12,31H,9-10H2,1-3H3,(H2,23,32)(H,24,26)
InChIKeyUVFAHKNVVNVHCW-UHFFFAOYSA-N
XLogP2.72
TPSA148.22 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524683
6-[1-[6-(3-hydroxy-2,2-dimethylpropoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524747
6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524795
6-[1-[6-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524711
6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[[1-[2-(dimethylamino)-2-hydroxyethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide
CID 176914235
6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524657
6-[3-[2-[6-(2-cyclohexyl-2-oxoethyl)-1,3-benzoxazol-2-yl]ethyl]cyclobutyl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524793
[1-[[2-[3-(6-carbamoyl-5-methyl-2-pyridinyl)azetidin-1-yl]-1,3-benzoxazol-6-yl]oxy]-2-methylpropan-2-yl]oxy-hydroxy-oxophosphanium;1,4-dimethylpyrazole;ethane
CID 171524727
2-[4-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696424
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900944
2-[(1-tert-butylpyrazol-4-yl)amino]-4-(2-chloro-6-fluoroanilino)pyrimidine-5-carboxamide
CID 165112363

Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide (CID 171524633) is 3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide is CC(C)(C)n1cc(Nc2ncc(C3CN(c4nc5ccc(O)cc5o4)C3)nc2C(N)=O)cn1.
What is the InChIKey of 3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is UVFAHKNVVNVHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-22(2,3)30-11-13(7-25-30)26-20-18(19(23)32)27-16(8-24-20)12-9-29(10-12)21-28-15-5-4-14(31)6-17(15)33-21/h4-8,11-12,31H,9-10H2,1-3H3,(H2,23,32)(H,24,26).
What are the key properties of 3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide?
3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 171524633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).