N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide

C22H20N4O2 — CID 135848026

IUPACN-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3cccnc3)cc12
InChIInChI=1S/C22H20N4O2/c1-2-4-21(28)24-22-19-11-17(15-5-3-10-23-13-15)18(12-20(19)25-26-22)14-6-8-16(27)9-7-14/h3,5-13,27H,2,4H2,1H3,(H2,24,25,26,28)
InChIKeySRMRMSFVDXVBTM-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.74
Rot. Bonds5

About N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide

N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide (PubChem CID 135848026) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide
PubChem CID135848026
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3cccnc3)cc12
InChIInChI=1S/C22H20N4O2/c1-2-4-21(28)24-22-19-11-17(15-5-3-10-23-13-15)18(12-20(19)25-26-22)14-6-8-16(27)9-7-14/h3,5-13,27H,2,4H2,1H3,(H2,24,25,26,28)
InChIKeySRMRMSFVDXVBTM-UHFFFAOYSA-N
XLogP4.74
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide (CID 135848026) is N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3cccnc3)cc12.
What is the InChIKey of N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide?
The InChIKey is SRMRMSFVDXVBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-2-4-21(28)24-22-19-11-17(15-5-3-10-23-13-15)18(12-20(19)25-26-22)14-6-8-16(27)9-7-14/h3,5-13,27H,2,4H2,1H3,(H2,24,25,26,28).
What are the key properties of N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide?
N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide has a molecular weight of 372.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxyphenyl)-5-pyridin-3-yl-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 135848026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).