1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide

C24H20N4O4 — CID 54766867

IUPAC1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide
SMILESN#Cc1ccc(Oc2ccc(-n3nc(C(=O)NCC(O)CO)c4ccccc43)cc2)cc1
InChIInChI=1S/C24H20N4O4/c25-13-16-5-9-19(10-6-16)32-20-11-7-17(8-12-20)28-22-4-2-1-3-21(22)23(27-28)24(31)26-14-18(30)15-29/h1-12,18,29-30H,14-15H2,(H,26,31)
InChIKeyJRWMGMKDQCQKCY-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.77
Rot. Bonds7

About 1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide

1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide (PubChem CID 54766867) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide
PubChem CID54766867
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide
SMILESN#Cc1ccc(Oc2ccc(-n3nc(C(=O)NCC(O)CO)c4ccccc43)cc2)cc1
InChIInChI=1S/C24H20N4O4/c25-13-16-5-9-19(10-6-16)32-20-11-7-17(8-12-20)28-22-4-2-1-3-21(22)23(27-28)24(31)26-14-18(30)15-29/h1-12,18,29-30H,14-15H2,(H,26,31)
InChIKeyJRWMGMKDQCQKCY-UHFFFAOYSA-N
XLogP2.77
TPSA120.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide?
The IUPAC name of 1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide (CID 54766867) is 1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide.
What is the SMILES notation for 1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide?
The canonical SMILES for 1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide is N#Cc1ccc(Oc2ccc(-n3nc(C(=O)NCC(O)CO)c4ccccc43)cc2)cc1.
What is the InChIKey of 1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide?
The InChIKey is JRWMGMKDQCQKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c25-13-16-5-9-19(10-6-16)32-20-11-7-17(8-12-20)28-22-4-2-1-3-21(22)23(27-28)24(31)26-14-18(30)15-29/h1-12,18,29-30H,14-15H2,(H,26,31).
What are the key properties of 1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide?
1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide is sourced from PubChem (CID 54766867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).