3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol

C21H22N6O — CID 118930280

IUPAC3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(C)(O)C5)c4)c3c2)cn1
InChIInChI=1S/C21H22N6O/c1-21(28)6-8-26(14-21)20-10-18(5-7-22-20)27-19-9-15(3-4-16(19)11-24-27)17-12-23-25(2)13-17/h3-5,7,9-13,28H,6,8,14H2,1-2H3
InChIKeyPTXMPYPSRZLLJJ-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.78
Rot. Bonds3

About 3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol

3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 118930280) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol
PubChem CID118930280
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(C)(O)C5)c4)c3c2)cn1
InChIInChI=1S/C21H22N6O/c1-21(28)6-8-26(14-21)20-10-18(5-7-22-20)27-19-9-15(3-4-16(19)11-24-27)17-12-23-25(2)13-17/h3-5,7,9-13,28H,6,8,14H2,1-2H3
InChIKeyPTXMPYPSRZLLJJ-UHFFFAOYSA-N
XLogP2.78
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
1-[(3-Methyl-1-{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698642
(3R)-1-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 89708625
5-[1-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550552
5-[1-[6-(6-Hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 155557829
(3S)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 162649372
(3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 162662807
(3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 162671898
4-(1-(2-Aminopyrimidin-4-yl)-1H-indazol-6-yl)-2-methylbut-3-yn-2-ol
CID 60163908
1-((3-methyl-1-(2-(1-methyl-1H-indol-5-ylamino)pyrimidin-4-yl)-1H-pyrazol-4-yl)methyl)azetidin-3-ol
CID 71698375
1-[[1-[2-[(1-Ethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol
CID 89846362
US10954240, Example 47
CID 118930313

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol (CID 118930280) is 3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol is Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(C)(O)C5)c4)c3c2)cn1.
What is the InChIKey of 3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is PTXMPYPSRZLLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-21(28)6-8-26(14-21)20-10-18(5-7-22-20)27-19-9-15(3-4-16(19)11-24-27)17-12-23-25(2)13-17/h3-5,7,9-13,28H,6,8,14H2,1-2H3.
What are the key properties of 3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol?
3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 374.45 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 118930280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).