6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole

C20H20N6 — CID 118930278

IUPAC6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCCC5)c4)c3c2)cn1
InChIInChI=1S/C20H20N6/c1-24-14-17(13-22-24)15-4-5-16-12-23-26(19(16)10-15)18-6-7-21-20(11-18)25-8-2-3-9-25/h4-7,10-14H,2-3,8-9H2,1H3
InChIKeyVGUZPMBPEFLYCK-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.42
Rot. Bonds3

About 6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole

6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole (PubChem CID 118930278) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
PubChem CID118930278
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCCC5)c4)c3c2)cn1
InChIInChI=1S/C20H20N6/c1-24-14-17(13-22-24)15-4-5-16-12-23-26(19(16)10-15)18-6-7-21-20(11-18)25-8-2-3-9-25/h4-7,10-14H,2-3,8-9H2,1H3
InChIKeyVGUZPMBPEFLYCK-UHFFFAOYSA-N
XLogP3.42
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole (CID 118930278) is 6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole is Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCCC5)c4)c3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
The InChIKey is VGUZPMBPEFLYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-24-14-17(13-22-24)15-4-5-16-12-23-26(19(16)10-15)18-6-7-21-20(11-18)25-8-2-3-9-25/h4-7,10-14H,2-3,8-9H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole has a molecular weight of 344.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole is sourced from PubChem (CID 118930278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).