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

C25H28N8O2 — CID 171524683

IUPAC6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2ncc(C3CN(c4nc5ccc(C6CCCCC6)cc5o4)C3)nc2C(N)=O)cn1
InChIInChI=1S/C25H28N8O2/c1-32-14-18(10-28-32)29-24-22(23(26)34)30-20(11-27-24)17-12-33(13-17)25-31-19-8-7-16(9-21(19)35-25)15-5-3-2-4-6-15/h7-11,14-15,17H,2-6,12-13H2,1H3,(H2,26,34)(H,27,29)
InChIKeyWOJKITWZOVAVHE-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.85
Rot. Bonds6

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

6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 171524683) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID171524683
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2ncc(C3CN(c4nc5ccc(C6CCCCC6)cc5o4)C3)nc2C(N)=O)cn1
InChIInChI=1S/C25H28N8O2/c1-32-14-18(10-28-32)29-24-22(23(26)34)30-20(11-27-24)17-12-33(13-17)25-31-19-8-7-16(9-21(19)35-25)15-5-3-2-4-6-15/h7-11,14-15,17H,2-6,12-13H2,1H3,(H2,26,34)(H,27,29)
InChIKeyWOJKITWZOVAVHE-UHFFFAOYSA-N
XLogP3.85
TPSA127.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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-(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-[(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
3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide
CID 171524633
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
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
[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
3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 135361530
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 146835383
3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 145201112
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72705057

Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 171524683) is 6-[1-(6-cyclohexyl-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-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is Cn1cc(Nc2ncc(C3CN(c4nc5ccc(C6CCCCC6)cc5o4)C3)nc2C(N)=O)cn1.
What is the InChIKey of 6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is WOJKITWZOVAVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-32-14-18(10-28-32)29-24-22(23(26)34)30-20(11-27-24)17-12-33(13-17)25-31-19-8-7-16(9-21(19)35-25)15-5-3-2-4-6-15/h7-11,14-15,17H,2-6,12-13H2,1H3,(H2,26,34)(H,27,29).
What are the key properties of 6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 171524683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).