2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol

C20H25ClN6O2 — CID 164848052

IUPAC2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
SMILESCC1COC(N2CCN(c3cc4c(cnn4-c4cnn(C)c4)cc3Cl)CC2)C1O
InChIInChI=1S/C20H25ClN6O2/c1-13-12-29-20(19(13)28)26-5-3-25(4-6-26)18-8-17-14(7-16(18)21)9-23-27(17)15-10-22-24(2)11-15/h7-11,13,19-20,28H,3-6,12H2,1-2H3
InChIKeyVVQLMBOMJOUVFJ-UHFFFAOYSA-N
MW416.91 g/mol
LogP1.89
Rot. Bonds3

About 2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol

2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol (PubChem CID 164848052) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol.

Molecular Properties

Compound Name2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
PubChem CID164848052
Molecular FormulaC20H25ClN6O2
Molecular Weight416.91 g/mol
Exact Mass416.17
IUPAC Name2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
SMILESCC1COC(N2CCN(c3cc4c(cnn4-c4cnn(C)c4)cc3Cl)CC2)C1O
InChIInChI=1S/C20H25ClN6O2/c1-13-12-29-20(19(13)28)26-5-3-25(4-6-26)18-8-17-14(7-16(18)21)9-23-27(17)15-10-22-24(2)11-15/h7-11,13,19-20,28H,3-6,12H2,1-2H3
InChIKeyVVQLMBOMJOUVFJ-UHFFFAOYSA-N
XLogP1.89
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol 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

5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole
CID 162502647
1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-[(3R,4R)-4-methoxyoxolan-3-yl]piperazin-1-yl]indazole
CID 162664098
(3R,4R)-4-[4-[5-chloro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 155381597
5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(2,2,4,4-tetradeuterio-3-methyloxetan-3-yl)piperazin-1-yl]indazole
CID 164848101
(1S,5S,8S)-3-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-8-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-ol
CID 164848050
(3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 164848091
1-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]-4-(oxolan-3-yl)piperidin-4-ol
CID 155381688
3-[4-[5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazol-1-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid
CID 155368983
(3R,4S)-4-[(2R)-4-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]-2-methylpiperazin-1-yl]-4-methyloxolan-3-ol
CID 155381339
(3R,4R)-4-[4-[5-chloro-1-[1-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 155381350
6-chloro-1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine
CID 169489359
[4-[4-[5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[2.2.2]octanyl]methanol
CID 155381321

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol?
The IUPAC name of 2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol (CID 164848052) is 2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol.
What is the SMILES notation for 2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol?
The canonical SMILES for 2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol is CC1COC(N2CCN(c3cc4c(cnn4-c4cnn(C)c4)cc3Cl)CC2)C1O.
What is the InChIKey of 2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol?
The InChIKey is VVQLMBOMJOUVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O2/c1-13-12-29-20(19(13)28)26-5-3-25(4-6-26)18-8-17-14(7-16(18)21)9-23-27(17)15-10-22-24(2)11-15/h7-11,13,19-20,28H,3-6,12H2,1-2H3.
What are the key properties of 2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol?
2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol has a molecular weight of 416.91 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol is sourced from PubChem (CID 164848052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).