3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide

C23H21N5O3 — CID 11165924

IUPAC3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)cc1
InChIInChI=1S/C23H21N5O3/c1-31-18-8-5-14(6-9-18)13-25-23(30)26-17-4-2-3-15(11-17)21-19-12-16(22(24)29)7-10-20(19)27-28-21/h2-12H,13H2,1H3,(H2,24,29)(H,27,28)(H2,25,26,30)
InChIKeyJBSFIHHQTMFAHP-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.66
Rot. Bonds6

About 3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide

3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide (PubChem CID 11165924) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide
PubChem CID11165924
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)cc1
InChIInChI=1S/C23H21N5O3/c1-31-18-8-5-14(6-9-18)13-25-23(30)26-17-4-2-3-15(11-17)21-19-12-16(22(24)29)7-10-20(19)27-28-21/h2-12H,13H2,1H3,(H2,24,29)(H,27,28)(H2,25,26,30)
InChIKeyJBSFIHHQTMFAHP-UHFFFAOYSA-N
XLogP3.66
TPSA122.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide (CID 11165924) is 3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide is COc1ccc(CNC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)cc1.
What is the InChIKey of 3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is JBSFIHHQTMFAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-31-18-8-5-14(6-9-18)13-25-23(30)26-17-4-2-3-15(11-17)21-19-12-16(22(24)29)7-10-20(19)27-28-21/h2-12H,13H2,1H3,(H2,24,29)(H,27,28)(H2,25,26,30).
What are the key properties of 3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide?
3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 11165924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).