2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide

C22H25N5O2 — CID 170242747

IUPAC2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(NC3CC4CCC43)nc2)ccc1=O)NC12CC(C1)C2
InChIInChI=1S/C22H25N5O2/c28-20(25-22-8-13(9-22)10-22)12-27-21(29)6-4-17(26-27)15-2-5-19(23-11-15)24-18-7-14-1-3-16(14)18/h2,4-6,11,13-14,16,18H,1,3,7-10,12H2,(H,23,24)(H,25,28)
InChIKeyCCVVFHOIVRSTNY-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.18
Rot. Bonds6

About 2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide

2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide (PubChem CID 170242747) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide.

Molecular Properties

Compound Name2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide
PubChem CID170242747
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(NC3CC4CCC43)nc2)ccc1=O)NC12CC(C1)C2
InChIInChI=1S/C22H25N5O2/c28-20(25-22-8-13(9-22)10-22)12-27-21(29)6-4-17(26-27)15-2-5-19(23-11-15)24-18-7-14-1-3-16(14)18/h2,4-6,11,13-14,16,18H,1,3,7-10,12H2,(H,23,24)(H,25,28)
InChIKeyCCVVFHOIVRSTNY-UHFFFAOYSA-N
XLogP2.18
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide with MolForge

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Related Compounds

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US11274090, Example 134 Isomer 2
CID 156293435
1-(4-Benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide?
The IUPAC name of 2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide (CID 170242747) is 2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide.
What is the SMILES notation for 2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide?
The canonical SMILES for 2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide is O=C(Cn1nc(-c2ccc(NC3CC4CCC43)nc2)ccc1=O)NC12CC(C1)C2.
What is the InChIKey of 2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide?
The InChIKey is CCVVFHOIVRSTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-20(25-22-8-13(9-22)10-22)12-27-21(29)6-4-17(26-27)15-2-5-19(23-11-15)24-18-7-14-1-3-16(14)18/h2,4-6,11,13-14,16,18H,1,3,7-10,12H2,(H,23,24)(H,25,28).
What are the key properties of 2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide?
2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide is sourced from PubChem (CID 170242747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).