(5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C20H30N4O — CID 26392190

IUPAC(5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCn1cc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c(C)n1
InChIInChI=1S/C20H30N4O/c1-3-9-24-14-18(16(2)21-24)13-22-11-8-20(15-22)7-4-10-23(19(20)25)12-17-5-6-17/h3,14,17H,1,4-13,15H2,2H3/t20-/m0/s1
InChIKeyHNTKPOXHUMRQIB-FQEVSTJZSA-N
MW342.49 g/mol
LogP2.60
Rot. Bonds6

About (5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 26392190) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID26392190
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCn1cc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c(C)n1
InChIInChI=1S/C20H30N4O/c1-3-9-24-14-18(16(2)21-24)13-22-11-8-20(15-22)7-4-10-23(19(20)25)12-17-5-6-17/h3,14,17H,1,4-13,15H2,2H3/t20-/m0/s1
InChIKeyHNTKPOXHUMRQIB-FQEVSTJZSA-N
XLogP2.60
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 26392190) is (5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is C=CCn1cc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c(C)n1.
What is the InChIKey of (5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HNTKPOXHUMRQIB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-9-24-14-18(16(2)21-24)13-22-11-8-20(15-22)7-4-10-23(19(20)25)12-17-5-6-17/h3,14,17H,1,4-13,15H2,2H3/t20-/m0/s1.
What are the key properties of (5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 342.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclopropylmethyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 26392190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).