2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide

C20H21N5O3 — CID 46226303

IUPAC2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCOCC4)cc3)nc12
InChIInChI=1S/C20H21N5O3/c21-20(27)17-3-1-2-14-12-25(23-19(14)17)16-6-4-15(5-7-16)22-18(26)13-24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H2,21,27)(H,22,26)
InChIKeyDPTMLZNTOJLFQF-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.40
Rot. Bonds5

About 2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide

2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide (PubChem CID 46226303) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide
PubChem CID46226303
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCOCC4)cc3)nc12
InChIInChI=1S/C20H21N5O3/c21-20(27)17-3-1-2-14-12-25(23-19(14)17)16-6-4-15(5-7-16)22-18(26)13-24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H2,21,27)(H,22,26)
InChIKeyDPTMLZNTOJLFQF-UHFFFAOYSA-N
XLogP1.40
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide (CID 46226303) is 2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCOCC4)cc3)nc12.
What is the InChIKey of 2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide?
The InChIKey is DPTMLZNTOJLFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c21-20(27)17-3-1-2-14-12-25(23-19(14)17)16-6-4-15(5-7-16)22-18(26)13-24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H2,21,27)(H,22,26).
What are the key properties of 2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide?
2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).