1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide

C23H25N7O — CID 138585611

IUPAC1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide
SMILESCN1CCC(n2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1
InChIInChI=1S/C23H25N7O/c1-28-7-5-21(6-8-28)30-15-20(13-26-30)23(31)27-22-10-18-9-16(3-4-17(18)11-24-22)19-12-25-29(2)14-19/h3-4,9-15,21H,5-8H2,1-2H3,(H,24,27,31)
InChIKeyMCKQMISPRGQPCT-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.35
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide

1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide (PubChem CID 138585611) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide
PubChem CID138585611
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide
SMILESCN1CCC(n2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1
InChIInChI=1S/C23H25N7O/c1-28-7-5-21(6-8-28)30-15-20(13-26-30)23(31)27-22-10-18-9-16(3-4-17(18)11-24-22)19-12-25-29(2)14-19/h3-4,9-15,21H,5-8H2,1-2H3,(H,24,27,31)
InChIKeyMCKQMISPRGQPCT-UHFFFAOYSA-N
XLogP3.35
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide (CID 138585611) is 1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide is CN1CCC(n2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide?
The InChIKey is MCKQMISPRGQPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-28-7-5-21(6-8-28)30-15-20(13-26-30)23(31)27-22-10-18-9-16(3-4-17(18)11-24-22)19-12-25-29(2)14-19/h3-4,9-15,21H,5-8H2,1-2H3,(H,24,27,31).
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide?
1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 138585611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).