2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide

C19H21N5O2 — CID 166298550

IUPAC2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide
SMILESCn1c(C(=O)Nc2cnn(C3CCNCC3)c2)cc2ccccc2c1=O
InChIInChI=1S/C19H21N5O2/c1-23-17(10-13-4-2-3-5-16(13)19(23)26)18(25)22-14-11-21-24(12-14)15-6-8-20-9-7-15/h2-5,10-12,15,20H,6-9H2,1H3,(H,22,25)
InChIKeyROFBQFSBNFOICC-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.91
Rot. Bonds3

About 2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide

2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide (PubChem CID 166298550) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide
PubChem CID166298550
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide
SMILESCn1c(C(=O)Nc2cnn(C3CCNCC3)c2)cc2ccccc2c1=O
InChIInChI=1S/C19H21N5O2/c1-23-17(10-13-4-2-3-5-16(13)19(23)26)18(25)22-14-11-21-24(12-14)15-6-8-20-9-7-15/h2-5,10-12,15,20H,6-9H2,1H3,(H,22,25)
InChIKeyROFBQFSBNFOICC-UHFFFAOYSA-N
XLogP1.91
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 107520067
N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide
CID 166211763
N-(1-piperidin-4-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166243214
N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide
CID 107990454
2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide
CID 166211770
5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 151577657
2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide
CID 167763607
2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171701439
2-ethyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
CID 154930924
1-naphthalen-1-yl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597839
2-methyl-1-oxoisoquinoline-3-carboxamide
CID 171701094
2-pyrrolidin-3-ylphthalazin-1-one
CID 82105279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide?
The IUPAC name of 2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide (CID 166298550) is 2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide?
The canonical SMILES for 2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide is Cn1c(C(=O)Nc2cnn(C3CCNCC3)c2)cc2ccccc2c1=O.
What is the InChIKey of 2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide?
The InChIKey is ROFBQFSBNFOICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-17(10-13-4-2-3-5-16(13)19(23)26)18(25)22-14-11-21-24(12-14)15-6-8-20-9-7-15/h2-5,10-12,15,20H,6-9H2,1H3,(H,22,25).
What are the key properties of 2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide?
2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide is sourced from PubChem (CID 166298550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).