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

C23H27ClN6O2 — CID 142483139

IUPACN-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc4cc(Cl)ccc4[nH]3)CC2)n1
InChIInChI=1S/C23H27ClN6O2/c1-16(31)25-21-5-10-30(27-21)22(32)28-11-7-23(8-12-28)6-2-9-29(23)15-19-14-17-13-18(24)3-4-20(17)26-19/h3-5,10,13-14,26H,2,6-9,11-12,15H2,1H3,(H,25,27,31)
InChIKeyVHRLRKGXWGKJLJ-UHFFFAOYSA-N
MW454.96 g/mol
LogP4.07
Rot. Bonds3

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

N-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide (PubChem CID 142483139) has the molecular formula C23H27ClN6O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is N-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
PubChem CID142483139
Molecular FormulaC23H27ClN6O2
Molecular Weight454.96 g/mol
Exact Mass454.19
IUPAC NameN-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc4cc(Cl)ccc4[nH]3)CC2)n1
InChIInChI=1S/C23H27ClN6O2/c1-16(31)25-21-5-10-30(27-21)22(32)28-11-7-23(8-12-28)6-2-9-29(23)15-19-14-17-13-18(24)3-4-20(17)26-19/h3-5,10,13-14,26H,2,6-9,11-12,15H2,1H3,(H,25,27,31)
InChIKeyVHRLRKGXWGKJLJ-UHFFFAOYSA-N
XLogP4.07
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide (CID 142483139) is N-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc4cc(Cl)ccc4[nH]3)CC2)n1.
What is the InChIKey of N-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The InChIKey is VHRLRKGXWGKJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O2/c1-16(31)25-21-5-10-30(27-21)22(32)28-11-7-23(8-12-28)6-2-9-29(23)15-19-14-17-13-18(24)3-4-20(17)26-19/h3-5,10,13-14,26H,2,6-9,11-12,15H2,1H3,(H,25,27,31).
What are the key properties of N-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
N-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide has a molecular weight of 454.96 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(5-chloro-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 142483139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).