(1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol

C25H30N4O — CID 155107646

IUPAC(1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol
SMILESCNc1cccc(C2CCN(Cc3cnn([C@@H]4c5ccccc5C[C@H]4O)c3)CC2)c1
InChIInChI=1S/C25H30N4O/c1-26-22-7-4-6-20(13-22)19-9-11-28(12-10-19)16-18-15-27-29(17-18)25-23-8-3-2-5-21(23)14-24(25)30/h2-8,13,15,17,19,24-26,30H,9-12,14,16H2,1H3/t24-,25-/m1/s1
InChIKeyZITYCSHGDOHVIQ-JWQCQUIFSA-N
MW402.54 g/mol
LogP3.81
Rot. Bonds5

About (1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol

(1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol (PubChem CID 155107646) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is (1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol
PubChem CID155107646
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name(1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol
SMILESCNc1cccc(C2CCN(Cc3cnn([C@@H]4c5ccccc5C[C@H]4O)c3)CC2)c1
InChIInChI=1S/C25H30N4O/c1-26-22-7-4-6-20(13-22)19-9-11-28(12-10-19)16-18-15-27-29(17-18)25-23-8-3-2-5-21(23)14-24(25)30/h2-8,13,15,17,19,24-26,30H,9-12,14,16H2,1H3/t24-,25-/m1/s1
InChIKeyZITYCSHGDOHVIQ-JWQCQUIFSA-N
XLogP3.81
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline
CID 145463368
N-[3-[1-[[1-[(6-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenyl]propane-2-sulfonamide
CID 118173528
3-cyclohexyl-N-methylaniline
CID 116962420
N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049346
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 77093189
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353
(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 14126785
tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate
CID 118998315
2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 142203769
4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]benzoic acid
CID 122033759
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol (CID 155107646) is (1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol is CNc1cccc(C2CCN(Cc3cnn([C@@H]4c5ccccc5C[C@H]4O)c3)CC2)c1.
What is the InChIKey of (1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is ZITYCSHGDOHVIQ-JWQCQUIFSA-N. The full InChI is InChI=1S/C25H30N4O/c1-26-22-7-4-6-20(13-22)19-9-11-28(12-10-19)16-18-15-27-29(17-18)25-23-8-3-2-5-21(23)14-24(25)30/h2-8,13,15,17,19,24-26,30H,9-12,14,16H2,1H3/t24-,25-/m1/s1.
What are the key properties of (1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
(1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 402.54 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 155107646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).