(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

C25H25N7O — CID 89488108

IUPAC(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCc1ccc(-n2cccn2)c(C(=O)N2CC3CC(C2)CN(c2cnc4ccccc4n2)C3)n1
InChIInChI=1S/C25H25N7O/c1-17-7-8-22(32-10-4-9-27-32)24(28-17)25(33)31-15-18-11-19(16-31)14-30(13-18)23-12-26-20-5-2-3-6-21(20)29-23/h2-10,12,18-19H,11,13-16H2,1H3
InChIKeyNUZVSFCNDGVRSZ-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.12
Rot. Bonds3

About (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 89488108) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID89488108
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCc1ccc(-n2cccn2)c(C(=O)N2CC3CC(C2)CN(c2cnc4ccccc4n2)C3)n1
InChIInChI=1S/C25H25N7O/c1-17-7-8-22(32-10-4-9-27-32)24(28-17)25(33)31-15-18-11-19(16-31)14-30(13-18)23-12-26-20-5-2-3-6-21(20)29-23/h2-10,12,18-19H,11,13-16H2,1H3
InChIKeyNUZVSFCNDGVRSZ-UHFFFAOYSA-N
XLogP3.12
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone (CID 89488108) is (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone is Cc1ccc(-n2cccn2)c(C(=O)N2CC3CC(C2)CN(c2cnc4ccccc4n2)C3)n1.
What is the InChIKey of (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is NUZVSFCNDGVRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-17-7-8-22(32-10-4-9-27-32)24(28-17)25(33)31-15-18-11-19(16-31)14-30(13-18)23-12-26-20-5-2-3-6-21(20)29-23/h2-10,12,18-19H,11,13-16H2,1H3.
What are the key properties of (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 439.52 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 89488108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).