N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide

C25H24ClN7O2 — CID 170715432

IUPACN-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(-c3cc(N4CC5CC4CN5C)cc(C#N)n3)nc2)ncc1Cl
InChIInChI=1S/C25H24ClN7O2/c1-32-13-19-7-18(32)14-33(19)17-6-16(10-27)30-22(8-17)21-4-3-15(11-28-21)5-25(34)31-24-9-23(35-2)20(26)12-29-24/h3-4,6,8-9,11-12,18-19H,5,7,13-14H2,1-2H3,(H,29,31,34)
InChIKeyVIBWVHMZMKFVOK-UHFFFAOYSA-N
MW489.97 g/mol
LogP3.15
Rot. Bonds6

About N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide

N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide (PubChem CID 170715432) has the molecular formula C25H24ClN7O2 and a molecular weight of 489.97 g/mol. Its IUPAC name is N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide
PubChem CID170715432
Molecular FormulaC25H24ClN7O2
Molecular Weight489.97 g/mol
Exact Mass489.17
IUPAC NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(-c3cc(N4CC5CC4CN5C)cc(C#N)n3)nc2)ncc1Cl
InChIInChI=1S/C25H24ClN7O2/c1-32-13-19-7-18(32)14-33(19)17-6-16(10-27)30-22(8-17)21-4-3-15(11-28-21)5-25(34)31-24-9-23(35-2)20(26)12-29-24/h3-4,6,8-9,11-12,18-19H,5,7,13-14H2,1-2H3,(H,29,31,34)
InChIKeyVIBWVHMZMKFVOK-UHFFFAOYSA-N
XLogP3.15
TPSA107.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.97
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide?
The IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide (CID 170715432) is N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide is COc1cc(NC(=O)Cc2ccc(-c3cc(N4CC5CC4CN5C)cc(C#N)n3)nc2)ncc1Cl.
What is the InChIKey of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide?
The InChIKey is VIBWVHMZMKFVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O2/c1-32-13-19-7-18(32)14-33(19)17-6-16(10-27)30-22(8-17)21-4-3-15(11-28-21)5-25(34)31-24-9-23(35-2)20(26)12-29-24/h3-4,6,8-9,11-12,18-19H,5,7,13-14H2,1-2H3,(H,29,31,34).
What are the key properties of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide?
N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide has a molecular weight of 489.97 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 170715432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).