(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C23H26N4O — CID 56884912

IUPAC(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESN[C@@H]1c2ccccc2C2(CCN(Cc3cn[nH]c3-c3ccccc3)CC2)[C@H]1O
InChIInChI=1S/C23H26N4O/c24-20-18-8-4-5-9-19(18)23(22(20)28)10-12-27(13-11-23)15-17-14-25-26-21(17)16-6-2-1-3-7-16/h1-9,14,20,22,28H,10-13,15,24H2,(H,25,26)/t20-,22+/m1/s1
InChIKeyFIMWSLPFQFALNV-IRLDBZIGSA-N
MW374.49 g/mol
LogP2.98
Rot. Bonds3

About (1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56884912) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56884912
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESN[C@@H]1c2ccccc2C2(CCN(Cc3cn[nH]c3-c3ccccc3)CC2)[C@H]1O
InChIInChI=1S/C23H26N4O/c24-20-18-8-4-5-9-19(18)23(22(20)28)10-12-27(13-11-23)15-17-14-25-26-21(17)16-6-2-1-3-7-16/h1-9,14,20,22,28H,10-13,15,24H2,(H,25,26)/t20-,22+/m1/s1
InChIKeyFIMWSLPFQFALNV-IRLDBZIGSA-N
XLogP2.98
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol 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 (1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56884912) is (1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is N[C@@H]1c2ccccc2C2(CCN(Cc3cn[nH]c3-c3ccccc3)CC2)[C@H]1O.
What is the InChIKey of (1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is FIMWSLPFQFALNV-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H26N4O/c24-20-18-8-4-5-9-19(18)23(22(20)28)10-12-27(13-11-23)15-17-14-25-26-21(17)16-6-2-1-3-7-16/h1-9,14,20,22,28H,10-13,15,24H2,(H,25,26)/t20-,22+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 374.49 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56884912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).