1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol

C21H22N6O — CID 118930248

IUPAC1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(O)CC5)c4)c3c2)cn1
InChIInChI=1S/C21H22N6O/c1-25-14-17(13-23-25)15-2-3-16-12-24-27(20(16)10-15)18-4-7-22-21(11-18)26-8-5-19(28)6-9-26/h2-4,7,10-14,19,28H,5-6,8-9H2,1H3
InChIKeyNDNMOSRTGNGZFS-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.78
Rot. Bonds3

About 1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol

1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol (PubChem CID 118930248) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol
PubChem CID118930248
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(O)CC5)c4)c3c2)cn1
InChIInChI=1S/C21H22N6O/c1-25-14-17(13-23-25)15-2-3-16-12-24-27(20(16)10-15)18-4-7-22-21(11-18)26-8-5-19(28)6-9-26/h2-4,7,10-14,19,28H,5-6,8-9H2,1H3
InChIKeyNDNMOSRTGNGZFS-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 1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol (CID 118930248) is 1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol is Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(O)CC5)c4)c3c2)cn1.
What is the InChIKey of 1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol?
The InChIKey is NDNMOSRTGNGZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-25-14-17(13-23-25)15-2-3-16-12-24-27(20(16)10-15)18-4-7-22-21(11-18)26-8-5-19(28)6-9-26/h2-4,7,10-14,19,28H,5-6,8-9H2,1H3.
What are the key properties of 1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol?
1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-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 1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 118930248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).