9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane

C23H32N4 — CID 70711055

IUPAC9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1cc(-n2cccn2)ccc1CN1CCC2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C23H32N4/c1-19-14-22(27-12-3-10-24-27)7-6-21(19)16-26-13-9-23(18-26)8-2-11-25(17-23)15-20-4-5-20/h3,6-7,10,12,14,20H,2,4-5,8-9,11,13,15-18H2,1H3
InChIKeyBCIGAYVNGOCHCT-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.88
Rot. Bonds5

About 9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane

9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 70711055) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID70711055
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1cc(-n2cccn2)ccc1CN1CCC2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C23H32N4/c1-19-14-22(27-12-3-10-24-27)7-6-21(19)16-26-13-9-23(18-26)8-2-11-25(17-23)15-20-4-5-20/h3,6-7,10,12,14,20H,2,4-5,8-9,11,13,15-18H2,1H3
InChIKeyBCIGAYVNGOCHCT-UHFFFAOYSA-N
XLogP3.88
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane 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 9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane (CID 70711055) is 9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane is Cc1cc(-n2cccn2)ccc1CN1CCC2(CCCN(CC3CC3)C2)C1.
What is the InChIKey of 9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is BCIGAYVNGOCHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4/c1-19-14-22(27-12-3-10-24-27)7-6-21(19)16-26-13-9-23(18-26)8-2-11-25(17-23)15-20-4-5-20/h3,6-7,10,12,14,20H,2,4-5,8-9,11,13,15-18H2,1H3.
What are the key properties of 9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane?
9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 364.54 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 70711055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).