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

C23H22N8O — CID 138586787

IUPAC2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)c4ccnc(N5CC6CC5CN6)c4)ncc3cn2)cn1
InChIInChI=1S/C23H22N8O/c1-30-12-17(10-28-30)20-4-15-5-21(27-9-16(15)8-26-20)29-23(32)14-2-3-24-22(6-14)31-13-18-7-19(31)11-25-18/h2-6,8-10,12,18-19,25H,7,11,13H2,1H3,(H,27,29,32)
InChIKeyZLSWXERQYQOHAN-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.23
Rot. Bonds4

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

2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide (PubChem CID 138586787) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
PubChem CID138586787
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)c4ccnc(N5CC6CC5CN6)c4)ncc3cn2)cn1
InChIInChI=1S/C23H22N8O/c1-30-12-17(10-28-30)20-4-15-5-21(27-9-16(15)8-26-20)29-23(32)14-2-3-24-22(6-14)31-13-18-7-19(31)11-25-18/h2-6,8-10,12,18-19,25H,7,11,13H2,1H3,(H,27,29,32)
InChIKeyZLSWXERQYQOHAN-UHFFFAOYSA-N
XLogP2.23
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138588886
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589218
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589048
2-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590246
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzofuran-5-carboxamide
CID 138587643
1-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]indazole-5-carboxamide
CID 138590174
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide
CID 138586943
3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 138588848
3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide
CID 138587575
4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138591258

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide (CID 138586787) is 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide is Cn1cc(-c2cc3cc(NC(=O)c4ccnc(N5CC6CC5CN6)c4)ncc3cn2)cn1.
What is the InChIKey of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
The InChIKey is ZLSWXERQYQOHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-30-12-17(10-28-30)20-4-15-5-21(27-9-16(15)8-26-20)29-23(32)14-2-3-24-22(6-14)31-13-18-7-19(31)11-25-18/h2-6,8-10,12,18-19,25H,7,11,13H2,1H3,(H,27,29,32).
What are the key properties of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138586787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).