N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride

C25H32ClFN4O2 — CID 24946470

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride
SMILESCOCCn1nc2ccccc2c1C(=O)NCC1CCN(CCc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C25H31FN4O2.ClH/c1-32-17-16-30-24(22-4-2-3-5-23(22)28-30)25(31)27-18-20-11-14-29(15-12-20)13-10-19-6-8-21(26)9-7-19;/h2-9,20H,10-18H2,1H3,(H,27,31);1H
InChIKeyQKJZJOJQIMAVFO-UHFFFAOYSA-N
MW475.01 g/mol
LogP3.93
Rot. Bonds9

About N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride (PubChem CID 24946470) has the molecular formula C25H32ClFN4O2 and a molecular weight of 475.01 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride
PubChem CID24946470
Molecular FormulaC25H32ClFN4O2
Molecular Weight475.01 g/mol
Exact Mass474.22
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride
SMILESCOCCn1nc2ccccc2c1C(=O)NCC1CCN(CCc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C25H31FN4O2.ClH/c1-32-17-16-30-24(22-4-2-3-5-23(22)28-30)25(31)27-18-20-11-14-29(15-12-20)13-10-19-6-8-21(26)9-7-19;/h2-9,20H,10-18H2,1H3,(H,27,31);1H
InChIKeyQKJZJOJQIMAVFO-UHFFFAOYSA-N
XLogP3.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride
CID 24802626
2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide
CID 24946465
N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide
CID 68704267
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate
CID 171479743
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide
CID 24946469
1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71455509
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209371
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 71879951
N-[[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide;hydrochloride
CID 11362763
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride (CID 24946470) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride is COCCn1nc2ccccc2c1C(=O)NCC1CCN(CCc2ccc(F)cc2)CC1.Cl.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride?
The InChIKey is QKJZJOJQIMAVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2.ClH/c1-32-17-16-30-24(22-4-2-3-5-23(22)28-30)25(31)27-18-20-11-14-29(15-12-20)13-10-19-6-8-21(26)9-7-19;/h2-9,20H,10-18H2,1H3,(H,27,31);1H.
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride has a molecular weight of 475.01 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 24946470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).