2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide

C25H27N7O — CID 139362938

IUPAC2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide
SMILESCN1CC2CC1CN2c1cc(C(=O)Nc2cc3c(cn2)=CCC(c2cnn(C)c2)C=3)ccn1
InChIInChI=1S/C25H27N7O/c1-30-14-22-10-21(30)15-32(22)24-9-17(5-6-26-24)25(33)29-23-8-19-7-16(3-4-18(19)11-27-23)20-12-28-31(2)13-20/h4-9,11-13,16,21-22H,3,10,14-15H2,1-2H3,(H,29,33)
InChIKeyVYMYARDNHMLGMQ-UHFFFAOYSA-N
MW441.54 g/mol
LogP1.10
Rot. Bonds4

About 2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide

2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide (PubChem CID 139362938) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide
PubChem CID139362938
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide
SMILESCN1CC2CC1CN2c1cc(C(=O)Nc2cc3c(cn2)=CCC(c2cnn(C)c2)C=3)ccn1
InChIInChI=1S/C25H27N7O/c1-30-14-22-10-21(30)15-32(22)24-9-17(5-6-26-24)25(33)29-23-8-19-7-16(3-4-18(19)11-27-23)20-12-28-31(2)13-20/h4-9,11-13,16,21-22H,3,10,14-15H2,1-2H3,(H,29,33)
InChIKeyVYMYARDNHMLGMQ-UHFFFAOYSA-N
XLogP1.10
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide (CID 139362938) is 2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide is CN1CC2CC1CN2c1cc(C(=O)Nc2cc3c(cn2)=CCC(c2cnn(C)c2)C=3)ccn1.
What is the InChIKey of 2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide?
The InChIKey is VYMYARDNHMLGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-30-14-22-10-21(30)15-32(22)24-9-17(5-6-26-24)25(33)29-23-8-19-7-16(3-4-18(19)11-27-23)20-12-28-31(2)13-20/h4-9,11-13,16,21-22H,3,10,14-15H2,1-2H3,(H,29,33).
What are the key properties of 2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide?
2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 139362938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).