1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide

C24H18FN7O4 — CID 11497942

IUPAC1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c(F)c(-c3ccc(N4CCOCC4=O)cn3)ccc12
InChIInChI=1S/C24H18FN7O4/c25-20-14(17-5-1-13(10-28-17)31-7-8-35-11-19(31)33)3-4-15-21(24(27)34)29-32(22(15)20)12-2-6-18-16(9-12)23(26)30-36-18/h1-6,9-10H,7-8,11H2,(H2,26,30)(H2,27,34)
InChIKeyCHGMJJLQPYOVAN-UHFFFAOYSA-N
MW487.45 g/mol
LogP2.41
Rot. Bonds4

About 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide

1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide (PubChem CID 11497942) has the molecular formula C24H18FN7O4 and a molecular weight of 487.45 g/mol. Its IUPAC name is 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide
PubChem CID11497942
Molecular FormulaC24H18FN7O4
Molecular Weight487.45 g/mol
Exact Mass487.14
IUPAC Name1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c(F)c(-c3ccc(N4CCOCC4=O)cn3)ccc12
InChIInChI=1S/C24H18FN7O4/c25-20-14(17-5-1-13(10-28-17)31-7-8-35-11-19(31)33)3-4-15-21(24(27)34)29-32(22(15)20)12-2-6-18-16(9-12)23(26)30-36-18/h1-6,9-10H,7-8,11H2,(H2,26,30)(H2,27,34)
InChIKeyCHGMJJLQPYOVAN-UHFFFAOYSA-N
XLogP2.41
TPSA155.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide (CID 11497942) is 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c(F)c(-c3ccc(N4CCOCC4=O)cn3)ccc12.
What is the InChIKey of 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide?
The InChIKey is CHGMJJLQPYOVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O4/c25-20-14(17-5-1-13(10-28-17)31-7-8-35-11-19(31)33)3-4-15-21(24(27)34)29-32(22(15)20)12-2-6-18-16(9-12)23(26)30-36-18/h1-6,9-10H,7-8,11H2,(H2,26,30)(H2,27,34).
What are the key properties of 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide?
1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide has a molecular weight of 487.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 11497942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).