2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide

C24H23F2N7O — CID 134327664

IUPAC2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)cc(NC(=O)CN5C6CCC5CC6)cc4F)cc23)cn1
InChIInChI=1S/C24H23F2N7O/c1-32-11-13(9-28-32)24-17-8-20(27-10-21(17)30-31-24)23-18(25)6-14(7-19(23)26)29-22(34)12-33-15-2-3-16(33)5-4-15/h6-11,15-16H,2-5,12H2,1H3,(H,29,34)(H,30,31)
InChIKeyMQGKLYLWTYRWDR-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.87
Rot. Bonds5

About 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide

2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide (PubChem CID 134327664) has the molecular formula C24H23F2N7O and a molecular weight of 463.49 g/mol. Its IUPAC name is 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide
PubChem CID134327664
Molecular FormulaC24H23F2N7O
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)cc(NC(=O)CN5C6CCC5CC6)cc4F)cc23)cn1
InChIInChI=1S/C24H23F2N7O/c1-32-11-13(9-28-32)24-17-8-20(27-10-21(17)30-31-24)23-18(25)6-14(7-19(23)26)29-22(34)12-33-15-2-3-16(33)5-4-15/h6-11,15-16H,2-5,12H2,1H3,(H,29,34)(H,30,31)
InChIKeyMQGKLYLWTYRWDR-UHFFFAOYSA-N
XLogP3.87
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide (CID 134327664) is 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide is Cn1cc(-c2n[nH]c3cnc(-c4c(F)cc(NC(=O)CN5C6CCC5CC6)cc4F)cc23)cn1.
What is the InChIKey of 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
The InChIKey is MQGKLYLWTYRWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O/c1-32-11-13(9-28-32)24-17-8-20(27-10-21(17)30-31-24)23-18(25)6-14(7-19(23)26)29-22(34)12-33-15-2-3-16(33)5-4-15/h6-11,15-16H,2-5,12H2,1H3,(H,29,34)(H,30,31).
What are the key properties of 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide has a molecular weight of 463.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 134327664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).