2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol

C26H28ClN5O — CID 138515667

IUPAC2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
SMILESCc1c2ccccc2nn1-c1cc(N2CCN(c3ccc(C(C)(C)O)cn3)CC2)ccc1Cl
InChIInChI=1S/C26H28ClN5O/c1-18-21-6-4-5-7-23(21)29-32(18)24-16-20(9-10-22(24)27)30-12-14-31(15-13-30)25-11-8-19(17-28-25)26(2,3)33/h4-11,16-17,33H,12-15H2,1-3H3
InChIKeyOPVHEPWDPAQDGB-UHFFFAOYSA-N
MW462.00 g/mol
LogP4.94
Rot. Bonds4

About 2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol

2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol (PubChem CID 138515667) has the molecular formula C26H28ClN5O and a molecular weight of 462.00 g/mol. Its IUPAC name is 2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
PubChem CID138515667
Molecular FormulaC26H28ClN5O
Molecular Weight462.00 g/mol
Exact Mass461.20
IUPAC Name2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
SMILESCc1c2ccccc2nn1-c1cc(N2CCN(c3ccc(C(C)(C)O)cn3)CC2)ccc1Cl
InChIInChI=1S/C26H28ClN5O/c1-18-21-6-4-5-7-23(21)29-32(18)24-16-20(9-10-22(24)27)30-12-14-31(15-13-30)25-11-8-19(17-28-25)26(2,3)33/h4-11,16-17,33H,12-15H2,1-3H3
InChIKeyOPVHEPWDPAQDGB-UHFFFAOYSA-N
XLogP4.94
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.00
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[(3S)-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]propan-2-ol
CID 59191524
[4-[5-[3-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296416
1-(3-Chloro-4-fluorophenyl)-2-cyclohexyl-1-(1-pyridin-2-ylindazol-5-yl)ethanol
CID 57943581
2-[3-Chloro-5-fluoro-4-[6-[(6-methylpyrimidin-4-yl)amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]propan-2-ol
CID 156095671
US12319671, Example 6.70
CID 155381319
1-[2-(2-Chlorophenyl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]-4-phenylpiperidin-4-ol
CID 11156193
1-[2-(2-Chlorophenyl)-3-phenylpyrazolo[3,4-d]pyridazin-7-yl]-4-phenylpiperidin-4-ol
CID 11329147
1-[2-(2-Chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol
CID 11386767
4-Butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol
CID 11477479
2-Cyclohexyl-1-(3,5-dichlorophenyl)-1-(1-pyridin-2-ylindazol-5-yl)ethanol
CID 57943644
1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9(2H)-yl)-2-(pyrimidin-4-yl)propan-2-ol
CID 67036408
2-[3,5-Dichloro-4-[[9-(1-methylpyrazol-4-yl)benzo[c][2,6]naphthyridin-5-yl]amino]phenyl]propan-2-ol
CID 68425295

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol (CID 138515667) is 2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol is Cc1c2ccccc2nn1-c1cc(N2CCN(c3ccc(C(C)(C)O)cn3)CC2)ccc1Cl.
What is the InChIKey of 2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?
The InChIKey is OPVHEPWDPAQDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O/c1-18-21-6-4-5-7-23(21)29-32(18)24-16-20(9-10-22(24)27)30-12-14-31(15-13-30)25-11-8-19(17-28-25)26(2,3)33/h4-11,16-17,33H,12-15H2,1-3H3.
What are the key properties of 2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?
2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 462.00 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[4-chloro-3-(3-methylindazol-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 138515667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).