4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide

C23H24ClFN4O2 — CID 134373288

IUPAC4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(C2(C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1
InChIInChI=1S/C23H24ClFN4O2/c24-16-11-14-13-26-28-20(14)19(12-16)21(30)23(7-8-23)15-5-9-29(10-6-15)22(31)27-18-3-1-17(25)2-4-18/h1-4,11-13,15,21,30H,5-10H2,(H,26,28)(H,27,31)
InChIKeyDZEGLLQEBFVVBE-UHFFFAOYSA-N
MW442.92 g/mol
LogP5.11
Rot. Bonds4

About 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide

4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 134373288) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID134373288
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC Name4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(C2(C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1
InChIInChI=1S/C23H24ClFN4O2/c24-16-11-14-13-26-28-20(14)19(12-16)21(30)23(7-8-23)15-5-9-29(10-6-15)22(31)27-18-3-1-17(25)2-4-18/h1-4,11-13,15,21,30H,5-10H2,(H,26,28)(H,27,31)
InChIKeyDZEGLLQEBFVVBE-UHFFFAOYSA-N
XLogP5.11
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.92
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 134373288) is 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC(C2(C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.
What is the InChIKey of 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is DZEGLLQEBFVVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c24-16-11-14-13-26-28-20(14)19(12-16)21(30)23(7-8-23)15-5-9-29(10-6-15)22(31)27-18-3-1-17(25)2-4-18/h1-4,11-13,15,21,30H,5-10H2,(H,26,28)(H,27,31).
What are the key properties of 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 442.92 g/mol, XLogP of 5.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).