1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone

C19H15N5O2 — CID 118664472

IUPAC1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone
SMILESCC(=O)c1ccnc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C19H15N5O2/c1-12(26)16-7-8-20-19(23-16)13-5-6-14-10-21-24(17(14)9-13)18-4-2-3-15(11-25)22-18/h2-10,25H,11H2,1H3
InChIKeyXTFDBZVFDYLVGV-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone

1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone (PubChem CID 118664472) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone
PubChem CID118664472
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone
SMILESCC(=O)c1ccnc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C19H15N5O2/c1-12(26)16-7-8-20-19(23-16)13-5-6-14-10-21-24(17(14)9-13)18-4-2-3-15(11-25)22-18/h2-10,25H,11H2,1H3
InChIKeyXTFDBZVFDYLVGV-UHFFFAOYSA-N
XLogP2.57
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone?
The IUPAC name of 1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone (CID 118664472) is 1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone is CC(=O)c1ccnc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of 1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone?
The InChIKey is XTFDBZVFDYLVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-12(26)16-7-8-20-19(23-16)13-5-6-14-10-21-24(17(14)9-13)18-4-2-3-15(11-25)22-18/h2-10,25H,11H2,1H3.
What are the key properties of 1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone?
1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone has a molecular weight of 345.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]pyrimidin-4-yl]ethanone is sourced from PubChem (CID 118664472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).