N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide

C23H24N6O2 — CID 140816430

IUPACN-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(C(NC(=O)C4CCNCC4)c4ncco4)cc3c2)cn1
InChIInChI=1S/C23H24N6O2/c1-29-14-19(13-27-29)16-2-3-17-12-26-20(11-18(17)10-16)21(23-25-8-9-31-23)28-22(30)15-4-6-24-7-5-15/h2-3,8-15,21,24H,4-7H2,1H3,(H,28,30)
InChIKeyRKJAHAAIFDQJLG-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.83
Rot. Bonds5

About N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide

N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 140816430) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID140816430
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(C(NC(=O)C4CCNCC4)c4ncco4)cc3c2)cn1
InChIInChI=1S/C23H24N6O2/c1-29-14-19(13-27-29)16-2-3-17-12-26-20(11-18(17)10-16)21(23-25-8-9-31-23)28-22(30)15-4-6-24-7-5-15/h2-3,8-15,21,24H,4-7H2,1H3,(H,28,30)
InChIKeyRKJAHAAIFDQJLG-UHFFFAOYSA-N
XLogP2.83
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide (CID 140816430) is N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide is Cn1cc(-c2ccc3cnc(C(NC(=O)C4CCNCC4)c4ncco4)cc3c2)cn1.
What is the InChIKey of N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is RKJAHAAIFDQJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-29-14-19(13-27-29)16-2-3-17-12-26-20(11-18(17)10-16)21(23-25-8-9-31-23)28-22(30)15-4-6-24-7-5-15/h2-3,8-15,21,24H,4-7H2,1H3,(H,28,30).
What are the key properties of N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide?
N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-(1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 140816430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).