4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one

C19H21N5O2 — CID 90400815

IUPAC4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCNC(=O)C4)c3)c2c1
InChIInChI=1S/C19H21N5O2/c1-12(2)26-14-3-4-16-15(10-14)19(23-22-16)13-5-6-20-17(9-13)24-8-7-21-18(25)11-24/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeySVBOWFMOKKACSY-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.35
Rot. Bonds4

About 4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one

4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one (PubChem CID 90400815) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one
PubChem CID90400815
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCNC(=O)C4)c3)c2c1
InChIInChI=1S/C19H21N5O2/c1-12(2)26-14-3-4-16-15(10-14)19(23-22-16)13-5-6-20-17(9-13)24-8-7-21-18(25)11-24/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeySVBOWFMOKKACSY-UHFFFAOYSA-N
XLogP2.35
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one (CID 90400815) is 4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one is CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCNC(=O)C4)c3)c2c1.
What is the InChIKey of 4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one?
The InChIKey is SVBOWFMOKKACSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12(2)26-14-3-4-16-15(10-14)19(23-22-16)13-5-6-20-17(9-13)24-8-7-21-18(25)11-24/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one?
4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 90400815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).