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

C23H24N8O3 — CID 171524795

IUPAC6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2ncc(C3CN(c4nc5ccc(OCC6CC6)cc5o4)C3)nc2C(N)=O)cn1
InChIInChI=1S/C23H24N8O3/c1-30-11-15(7-26-30)27-22-20(21(24)32)28-18(8-25-22)14-9-31(10-14)23-29-17-5-4-16(6-19(17)34-23)33-12-13-2-3-13/h4-8,11,13-14H,2-3,9-10,12H2,1H3,(H2,24,32)(H,25,27)
InChIKeyLAGOAAZJZPLLQR-UHFFFAOYSA-N
MW460.50 g/mol
LogP2.59
Rot. Bonds8

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

6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 171524795) has the molecular formula C23H24N8O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is 6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID171524795
Molecular FormulaC23H24N8O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2ncc(C3CN(c4nc5ccc(OCC6CC6)cc5o4)C3)nc2C(N)=O)cn1
InChIInChI=1S/C23H24N8O3/c1-30-11-15(7-26-30)27-22-20(21(24)32)28-18(8-25-22)14-9-31(10-14)23-29-17-5-4-16(6-19(17)34-23)33-12-13-2-3-13/h4-8,11,13-14H,2-3,9-10,12H2,1H3,(H2,24,32)(H,25,27)
InChIKeyLAGOAAZJZPLLQR-UHFFFAOYSA-N
XLogP2.59
TPSA137.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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-[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-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524683
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-[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-[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-(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
N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
CID 58483998
ethyl 2-[4-[3-(cyclopropylmethoxy)phenoxy]piperidin-1-yl]-1,3-benzoxazole-6-carboxylate
CID 130472620
[(2S)-1-[[6-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 67778322
[(2S)-1-[[6-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-5-fluoro-3-pyridinyl]oxy]propan-2-yl]urea
CID 67778683

Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 171524795) is 6-[1-[6-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is Cn1cc(Nc2ncc(C3CN(c4nc5ccc(OCC6CC6)cc5o4)C3)nc2C(N)=O)cn1.
What is the InChIKey of 6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is LAGOAAZJZPLLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O3/c1-30-11-15(7-26-30)27-22-20(21(24)32)28-18(8-25-22)14-9-31(10-14)23-29-17-5-4-16(6-19(17)34-23)33-12-13-2-3-13/h4-8,11,13-14H,2-3,9-10,12H2,1H3,(H2,24,32)(H,25,27).
What are the key properties of 6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 171524795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).