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

C19H17ClN8O2 — CID 171524685

IUPAC6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2ncc(C3CN(c4nc5ccc(Cl)cc5o4)C3)nc2C(N)=O)cn1
InChIInChI=1S/C19H17ClN8O2/c1-27-9-12(5-23-27)24-18-16(17(21)29)25-14(6-22-18)10-7-28(8-10)19-26-13-3-2-11(20)4-15(13)30-19/h2-6,9-10H,7-8H2,1H3,(H2,21,29)(H,22,24)
InChIKeyYQFQNCURUUPDPE-UHFFFAOYSA-N
MW424.85 g/mol
LogP2.45
Rot. Bonds5

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

6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 171524685) has the molecular formula C19H17ClN8O2 and a molecular weight of 424.85 g/mol. Its IUPAC name is 6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID171524685
Molecular FormulaC19H17ClN8O2
Molecular Weight424.85 g/mol
Exact Mass424.12
IUPAC Name6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2ncc(C3CN(c4nc5ccc(Cl)cc5o4)C3)nc2C(N)=O)cn1
InChIInChI=1S/C19H17ClN8O2/c1-27-9-12(5-23-27)24-18-16(17(21)29)25-14(6-22-18)10-7-28(8-10)19-26-13-3-2-11(20)4-15(13)30-19/h2-6,9-10H,7-8H2,1H3,(H2,21,29)(H,22,24)
InChIKeyYQFQNCURUUPDPE-UHFFFAOYSA-N
XLogP2.45
TPSA127.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.85
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 171524685) is 6-[1-(6-chloro-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-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is Cn1cc(Nc2ncc(C3CN(c4nc5ccc(Cl)cc5o4)C3)nc2C(N)=O)cn1.
What is the InChIKey of 6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is YQFQNCURUUPDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN8O2/c1-27-9-12(5-23-27)24-18-16(17(21)29)25-14(6-22-18)10-7-28(8-10)19-26-13-3-2-11(20)4-15(13)30-19/h2-6,9-10H,7-8H2,1H3,(H2,21,29)(H,22,24).
What are the key properties of 6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 424.85 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-chloro-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 171524685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).