N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide

C21H25ClFN5O2 — CID 142482998

IUPACN-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCN(Cc4cc(F)cc(Cl)c4)C3)CC2)n1
InChIInChI=1S/C21H25ClFN5O2/c1-15(29)24-19-2-6-28(25-19)20(30)27-8-4-21(5-9-27)3-7-26(14-21)13-16-10-17(22)12-18(23)11-16/h2,6,10-12H,3-5,7-9,13-14H2,1H3,(H,24,25,29)
InChIKeyIEVMJWXZJFBHFB-UHFFFAOYSA-N
MW433.92 g/mol
LogP3.59
Rot. Bonds3

About N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide

N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide (PubChem CID 142482998) has the molecular formula C21H25ClFN5O2 and a molecular weight of 433.92 g/mol. Its IUPAC name is N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
PubChem CID142482998
Molecular FormulaC21H25ClFN5O2
Molecular Weight433.92 g/mol
Exact Mass433.17
IUPAC NameN-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCN(Cc4cc(F)cc(Cl)c4)C3)CC2)n1
InChIInChI=1S/C21H25ClFN5O2/c1-15(29)24-19-2-6-28(25-19)20(30)27-8-4-21(5-9-27)3-7-26(14-21)13-16-10-17(22)12-18(23)11-16/h2,6,10-12H,3-5,7-9,13-14H2,1H3,(H,24,25,29)
InChIKeyIEVMJWXZJFBHFB-UHFFFAOYSA-N
XLogP3.59
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide (CID 142482998) is N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C(=O)N2CCC3(CCN(Cc4cc(F)cc(Cl)c4)C3)CC2)n1.
What is the InChIKey of N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The InChIKey is IEVMJWXZJFBHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN5O2/c1-15(29)24-19-2-6-28(25-19)20(30)27-8-4-21(5-9-27)3-7-26(14-21)13-16-10-17(22)12-18(23)11-16/h2,6,10-12H,3-5,7-9,13-14H2,1H3,(H,24,25,29).
What are the key properties of N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide has a molecular weight of 433.92 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 142482998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).