8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane

C26H32ClN5O — CID 127046088

IUPAC8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane
SMILESCOCCN1CCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2
InChIInChI=1S/C26H32ClN5O/c1-30-19-22(16-29-30)20-4-6-21(7-5-20)23-17-28-18-24(27)25(23)31-12-9-26(10-13-31)8-3-11-32(26)14-15-33-2/h4-7,16-19H,3,8-15H2,1-2H3
InChIKeyUBTVSFFSPMDFDG-UHFFFAOYSA-N
MW466.03 g/mol
LogP4.88
Rot. Bonds6

About 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane

8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane (PubChem CID 127046088) has the molecular formula C26H32ClN5O and a molecular weight of 466.03 g/mol. Its IUPAC name is 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane
PubChem CID127046088
Molecular FormulaC26H32ClN5O
Molecular Weight466.03 g/mol
Exact Mass465.23
IUPAC Name8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane
SMILESCOCCN1CCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2
InChIInChI=1S/C26H32ClN5O/c1-30-19-22(16-29-30)20-4-6-21(7-5-20)23-17-28-18-24(27)25(23)31-12-9-26(10-13-31)8-3-11-32(26)14-15-33-2/h4-7,16-19H,3,8-15H2,1-2H3
InChIKeyUBTVSFFSPMDFDG-UHFFFAOYSA-N
XLogP4.88
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.03
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cct251545
CID 77050682
4-(3-(4-chlorophenyl)-5-(1-(2-methoxyethyl)piperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22953801
8-[3-Chloro-5-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118395096
8-[3-Chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118408035
8-[3-Chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
CID 118730682
8-[3-Chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 127047184
4-[1-(1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)ethyl]morpholine
CID 16191555
8-[3-Chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 127046541
8-[3-Chloro-5-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 127046703
(5S)-2-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 25446768
1-[3-Chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide
CID 118408127
(2-methoxyethyl)(1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-2-phenylethyl)(3-pyridinylmethyl)amine
CID 45240383

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane (CID 127046088) is 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane is COCCN1CCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2.
What is the InChIKey of 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is UBTVSFFSPMDFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O/c1-30-19-22(16-29-30)20-4-6-21(7-5-20)23-17-28-18-24(27)25(23)31-12-9-26(10-13-31)8-3-11-32(26)14-15-33-2/h4-7,16-19H,3,8-15H2,1-2H3.
What are the key properties of 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 466.03 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 127046088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).