4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one

C34H38N8O4 — CID 155922187

IUPAC4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cccc(NC2C(=O)N(c3ccc(C4CNNC4)cn3)CC23CCN(C(=O)CCc2nnc(-c4ccccc4)o2)CC3)c1
InChIInChI=1S/C34H38N8O4/c1-45-27-9-5-8-26(18-27)38-31-33(44)42(28-11-10-24(19-35-28)25-20-36-37-21-25)22-34(31)14-16-41(17-15-34)30(43)13-12-29-39-40-32(46-29)23-6-3-2-4-7-23/h2-11,18-19,25,31,36-38H,12-17,20-22H2,1H3
InChIKeyBNCHSXABXHSBPF-UHFFFAOYSA-N
MW622.73 g/mol
LogP3.40
Rot. Bonds9

About 4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one

4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 155922187) has the molecular formula C34H38N8O4 and a molecular weight of 622.73 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID155922187
Molecular FormulaC34H38N8O4
Molecular Weight622.73 g/mol
Exact Mass622.30
IUPAC Name4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cccc(NC2C(=O)N(c3ccc(C4CNNC4)cn3)CC23CCN(C(=O)CCc2nnc(-c4ccccc4)o2)CC3)c1
InChIInChI=1S/C34H38N8O4/c1-45-27-9-5-8-26(18-27)38-31-33(44)42(28-11-10-24(19-35-28)25-20-36-37-21-25)22-34(31)14-16-41(17-15-34)30(43)13-12-29-39-40-32(46-29)23-6-3-2-4-7-23/h2-11,18-19,25,31,36-38H,12-17,20-22H2,1H3
InChIKeyBNCHSXABXHSBPF-UHFFFAOYSA-N
XLogP3.40
TPSA137.75 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.73
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

4-(3-methoxyanilino)-8-[3-(2-oxopyrrolidin-1-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155922188
3-(3-methoxyphenyl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658534
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
4-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazine-1-carbaldehyde
CID 110334291
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
8-(2-hydroxy-2-methylpropyl)-4-(3-methoxyanilino)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one
CID 139547220
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-morpholin-4-ylpropan-1-one
CID 110335021
6-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136530
8-(2-hydroxypropyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyrazolidin-4-yl-2-pyridinyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 155922100

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one (CID 155922187) is 4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one is COc1cccc(NC2C(=O)N(c3ccc(C4CNNC4)cn3)CC23CCN(C(=O)CCc2nnc(-c4ccccc4)o2)CC3)c1.
What is the InChIKey of 4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is BNCHSXABXHSBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O4/c1-45-27-9-5-8-26(18-27)38-31-33(44)42(28-11-10-24(19-35-28)25-20-36-37-21-25)22-34(31)14-16-41(17-15-34)30(43)13-12-29-39-40-32(46-29)23-6-3-2-4-7-23/h2-11,18-19,25,31,36-38H,12-17,20-22H2,1H3.
What are the key properties of 4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one?
4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 622.73 g/mol, XLogP of 3.40, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-8-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-(5-pyrazolidin-4-yl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 155922187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).