(1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]

C19H24ClN3O — CID 169138083

IUPAC(1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESC[C@H]1C[C@@]2(CCN1Cc1cnn(C)c1)OCCc1ccc(Cl)cc12
InChIInChI=1S/C19H24ClN3O/c1-14-10-19(6-7-23(14)13-15-11-21-22(2)12-15)18-9-17(20)4-3-16(18)5-8-24-19/h3-4,9,11-12,14H,5-8,10,13H2,1-2H3/t14-,19+/m0/s1
InChIKeySXSJTPMPSIQPSK-IFXJQAMLSA-N
MW345.87 g/mol
LogP3.53
Rot. Bonds2

About (1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]

(1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 169138083) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is (1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name(1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID169138083
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name(1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESC[C@H]1C[C@@]2(CCN1Cc1cnn(C)c1)OCCc1ccc(Cl)cc12
InChIInChI=1S/C19H24ClN3O/c1-14-10-19(6-7-23(14)13-15-11-21-22(2)12-15)18-9-17(20)4-3-16(18)5-8-24-19/h3-4,9,11-12,14H,5-8,10,13H2,1-2H3/t14-,19+/m0/s1
InChIKeySXSJTPMPSIQPSK-IFXJQAMLSA-N
XLogP3.53
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-[[(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl]methyl]pyrazol-1-yl]methyl]-2-methylpropane-1,3-diol
CID 169138418
(2R)-1-[4-[[(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl]methyl]pyrazol-1-yl]-3-methylbutane-2,3-diol
CID 170107553
(1R,2'S)-7-chloro-1'-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 176790760
(1R,2'S)-7-chloro-1'-[(1-ethyltriazol-4-yl)methyl]-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 169138432
1-[2-[4-[[(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl]methyl]triazol-1-yl]ethyl]-3-ethylurea
CID 169138161
5-[[4-[[(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl]methyl]triazol-1-yl]methyl]furan-2-carboxamide
CID 169137863
(2'S)-2-chloro-6-ethyl-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169140160
5-[[4-[[(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl]methyl]triazol-1-yl]methyl]-1-cyclopropylpyrimidine-2,4-dione
CID 176790750
(2'S,4R)-7-methoxy-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 170139050
(2'S,7R)-2,3-dichloro-2'-methyl-1'-[[1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169139194
(2'S,7R)-2-(ethoxymethyl)-2'-methyl-1'-[[1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169139244
N-[4-[[(2'S,7R)-2-chloro-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]phenyl]acetamide
CID 170128898

Frequently Asked Questions

What is the IUPAC name of (1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of (1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 169138083) is (1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for (1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for (1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] is C[C@H]1C[C@@]2(CCN1Cc1cnn(C)c1)OCCc1ccc(Cl)cc12.
What is the InChIKey of (1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is SXSJTPMPSIQPSK-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-14-10-19(6-7-23(14)13-15-11-21-22(2)12-15)18-9-17(20)4-3-16(18)5-8-24-19/h3-4,9,11-12,14H,5-8,10,13H2,1-2H3/t14-,19+/m0/s1.
What are the key properties of (1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
(1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 345.87 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2'S)-7-chloro-2'-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 169138083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).