N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide

C23H26ClFN6O3 — CID 171705710

IUPACN-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide
SMILESCCOc1c(F)cc(C(=O)N2CCCCC2c2cc(NC(=O)Cc3ccn(C)n3)n[nH]2)cc1Cl
InChIInChI=1S/C23H26ClFN6O3/c1-3-34-22-16(24)10-14(11-17(22)25)23(33)31-8-5-4-6-19(31)18-13-20(28-27-18)26-21(32)12-15-7-9-30(2)29-15/h7,9-11,13,19H,3-6,8,12H2,1-2H3,(H2,26,27,28,32)
InChIKeyNSFHQYSEOPTDGP-UHFFFAOYSA-N
MW488.95 g/mol
LogP3.88
Rot. Bonds7

About N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide

N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide (PubChem CID 171705710) has the molecular formula C23H26ClFN6O3 and a molecular weight of 488.95 g/mol. Its IUPAC name is N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide
PubChem CID171705710
Molecular FormulaC23H26ClFN6O3
Molecular Weight488.95 g/mol
Exact Mass488.17
IUPAC NameN-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide
SMILESCCOc1c(F)cc(C(=O)N2CCCCC2c2cc(NC(=O)Cc3ccn(C)n3)n[nH]2)cc1Cl
InChIInChI=1S/C23H26ClFN6O3/c1-3-34-22-16(24)10-14(11-17(22)25)23(33)31-8-5-4-6-19(31)18-13-20(28-27-18)26-21(32)12-15-7-9-30(2)29-15/h7,9-11,13,19H,3-6,8,12H2,1-2H3,(H2,26,27,28,32)
InChIKeyNSFHQYSEOPTDGP-UHFFFAOYSA-N
XLogP3.88
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chloro-4-ethoxy-5-methoxyphenyl)-[(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)azepan-1-yl]methanone
CID 100668262
2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 177025869
tert-butyl (2S)-2-[3-[(4,6-difluoro-1H-indole-2-carbonyl)amino]-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 168868203
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 171706065
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
CID 171706114
2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
CID 171683354
cis-ethyl (1R,3S)-3-[[5-[1-[2-(4-fluoroindol-1-yl)acetyl]piperidin-2-yl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 171684584
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
N-[5-[1-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-propylcyclohexane-1-carboxamide
CID 171683345
1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide
CID 170287229
5-[(2R)-1-(2-ethoxypyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100677325
5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100677443

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide (CID 171705710) is N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide is CCOc1c(F)cc(C(=O)N2CCCCC2c2cc(NC(=O)Cc3ccn(C)n3)n[nH]2)cc1Cl.
What is the InChIKey of N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is NSFHQYSEOPTDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN6O3/c1-3-34-22-16(24)10-14(11-17(22)25)23(33)31-8-5-4-6-19(31)18-13-20(28-27-18)26-21(32)12-15-7-9-30(2)29-15/h7,9-11,13,19H,3-6,8,12H2,1-2H3,(H2,26,27,28,32).
What are the key properties of N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide?
N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 488.95 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 171705710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).