6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine

C33H30FN7O2 — CID 171073524

IUPAC6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine
SMILESFc1cc2c(cc1-c1cccc3[nH]ncc13)OC(c1cccc(-c3cccc4[nH]ncc34)n1)CN2CCN1CCOCC1
InChIInChI=1S/C33H30FN7O2/c34-26-17-31-32(16-23(26)21-4-1-7-28-24(21)18-35-38-28)43-33(20-41(31)11-10-40-12-14-42-15-13-40)30-9-3-6-27(37-30)22-5-2-8-29-25(22)19-36-39-29/h1-9,16-19,33H,10-15,20H2,(H,35,38)(H,36,39)
InChIKeyFBMPNFARRXWYES-UHFFFAOYSA-N
MW575.65 g/mol
LogP5.58
Rot. Bonds6

About 6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine

6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 171073524) has the molecular formula C33H30FN7O2 and a molecular weight of 575.65 g/mol. Its IUPAC name is 6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID171073524
Molecular FormulaC33H30FN7O2
Molecular Weight575.65 g/mol
Exact Mass575.24
IUPAC Name6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine
SMILESFc1cc2c(cc1-c1cccc3[nH]ncc13)OC(c1cccc(-c3cccc4[nH]ncc34)n1)CN2CCN1CCOCC1
InChIInChI=1S/C33H30FN7O2/c34-26-17-31-32(16-23(26)21-4-1-7-28-24(21)18-35-38-28)43-33(20-41(31)11-10-40-12-14-42-15-13-40)30-9-3-6-27(37-30)22-5-2-8-29-25(22)19-36-39-29/h1-9,16-19,33H,10-15,20H2,(H,35,38)(H,36,39)
InChIKeyFBMPNFARRXWYES-UHFFFAOYSA-N
XLogP5.58
TPSA95.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.65
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine (CID 171073524) is 6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine is Fc1cc2c(cc1-c1cccc3[nH]ncc13)OC(c1cccc(-c3cccc4[nH]ncc34)n1)CN2CCN1CCOCC1.
What is the InChIKey of 6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is FBMPNFARRXWYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN7O2/c34-26-17-31-32(16-23(26)21-4-1-7-28-24(21)18-35-38-28)43-33(20-41(31)11-10-40-12-14-42-15-13-40)30-9-3-6-27(37-30)22-5-2-8-29-25(22)19-36-39-29/h1-9,16-19,33H,10-15,20H2,(H,35,38)(H,36,39).
What are the key properties of 6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine?
6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 575.65 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(1H-indazol-4-yl)-2-[6-(1H-indazol-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 171073524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).