2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide

C26H28N6O2 — CID 134444263

IUPAC2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
SMILESCC(C)n1cc(-c2ccc3cnc(NC(=O)c4ccnc(OC5CCNCC5)c4)cc3c2)cn1
InChIInChI=1S/C26H28N6O2/c1-17(2)32-16-22(15-30-32)18-3-4-20-14-29-24(12-21(20)11-18)31-26(33)19-5-10-28-25(13-19)34-23-6-8-27-9-7-23/h3-5,10-17,23,27H,6-9H2,1-2H3,(H,29,31,33)
InChIKeyPBMJTIZUESRTNR-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.46
Rot. Bonds6

About 2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide

2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide (PubChem CID 134444263) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
PubChem CID134444263
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
SMILESCC(C)n1cc(-c2ccc3cnc(NC(=O)c4ccnc(OC5CCNCC5)c4)cc3c2)cn1
InChIInChI=1S/C26H28N6O2/c1-17(2)32-16-22(15-30-32)18-3-4-20-14-29-24(12-21(20)11-18)31-26(33)19-5-10-28-25(13-19)34-23-6-8-27-9-7-23/h3-5,10-17,23,27H,6-9H2,1-2H3,(H,29,31,33)
InChIKeyPBMJTIZUESRTNR-UHFFFAOYSA-N
XLogP4.46
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide (CID 134444263) is 2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide is CC(C)n1cc(-c2ccc3cnc(NC(=O)c4ccnc(OC5CCNCC5)c4)cc3c2)cn1.
What is the InChIKey of 2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide?
The InChIKey is PBMJTIZUESRTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-17(2)32-16-22(15-30-32)18-3-4-20-14-29-24(12-21(20)11-18)31-26(33)19-5-10-28-25(13-19)34-23-6-8-27-9-7-23/h3-5,10-17,23,27H,6-9H2,1-2H3,(H,29,31,33).
What are the key properties of 2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide?
2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 134444263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).