7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C22H19N5O2 — CID 90644677

IUPAC7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)c12
InChIInChI=1S/C22H19N5O2/c23-21-20-16(7-4-8-17(20)25-26-21)14-9-10-18-19(13-14)29-12-11-27(18)22(28)24-15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,24,28)(H3,23,25,26)
InChIKeyDZTDIEVKRWPYNO-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.24
Rot. Bonds2

About 7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 90644677) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID90644677
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)c12
InChIInChI=1S/C22H19N5O2/c23-21-20-16(7-4-8-17(20)25-26-21)14-9-10-18-19(13-14)29-12-11-27(18)22(28)24-15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,24,28)(H3,23,25,26)
InChIKeyDZTDIEVKRWPYNO-UHFFFAOYSA-N
XLogP4.24
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 90644677) is 7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is Nc1n[nH]c2cccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)c12.
What is the InChIKey of 7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is DZTDIEVKRWPYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c23-21-20-16(7-4-8-17(20)25-26-21)14-9-10-18-19(13-14)29-12-11-27(18)22(28)24-15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,24,28)(H3,23,25,26).
What are the key properties of 7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 4.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-1H-indazol-4-yl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 90644677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).