N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide

C28H28N4O2 — CID 141431573

IUPACN-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide
SMILESO=C(c1ccc(-n2ncc3ccccc32)cc1)N(c1ccc(N2CCC(O)CC2)cc1)C1CC1
InChIInChI=1S/C28H28N4O2/c33-26-15-17-30(18-16-26)22-9-11-23(12-10-22)31(24-13-14-24)28(34)20-5-7-25(8-6-20)32-27-4-2-1-3-21(27)19-29-32/h1-12,19,24,26,33H,13-18H2
InChIKeyYAHXCTIJYARUNO-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.80
Rot. Bonds5

About N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide

N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide (PubChem CID 141431573) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide
PubChem CID141431573
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide
SMILESO=C(c1ccc(-n2ncc3ccccc32)cc1)N(c1ccc(N2CCC(O)CC2)cc1)C1CC1
InChIInChI=1S/C28H28N4O2/c33-26-15-17-30(18-16-26)22-9-11-23(12-10-22)31(24-13-14-24)28(34)20-5-7-25(8-6-20)32-27-4-2-1-3-21(27)19-29-32/h1-12,19,24,26,33H,13-18H2
InChIKeyYAHXCTIJYARUNO-UHFFFAOYSA-N
XLogP4.80
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide?
The IUPAC name of N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide (CID 141431573) is N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide is O=C(c1ccc(-n2ncc3ccccc32)cc1)N(c1ccc(N2CCC(O)CC2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide?
The InChIKey is YAHXCTIJYARUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c33-26-15-17-30(18-16-26)22-9-11-23(12-10-22)31(24-13-14-24)28(34)20-5-7-25(8-6-20)32-27-4-2-1-3-21(27)19-29-32/h1-12,19,24,26,33H,13-18H2.
What are the key properties of N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide?
N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide has a molecular weight of 452.56 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide is sourced from PubChem (CID 141431573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).