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

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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).