7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane

C22H25N7 — CID 138491309

IUPAC7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESc1cnn2ncc(-c3ccnc4[nH]c(CN5CCCC6(CCNC6)C5)cc34)c2c1
InChIInChI=1S/C22H25N7/c1-3-20-19(12-26-29(20)25-7-1)17-4-8-24-21-18(17)11-16(27-21)13-28-10-2-5-22(15-28)6-9-23-14-22/h1,3-4,7-8,11-12,23H,2,5-6,9-10,13-15H2,(H,24,27)
InChIKeyKFNWCNBBZVAMJJ-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.85
Rot. Bonds3

About 7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane

7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 138491309) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID138491309
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESc1cnn2ncc(-c3ccnc4[nH]c(CN5CCCC6(CCNC6)C5)cc34)c2c1
InChIInChI=1S/C22H25N7/c1-3-20-19(12-26-29(20)25-7-1)17-4-8-24-21-18(17)11-16(27-21)13-28-10-2-5-22(15-28)6-9-23-14-22/h1,3-4,7-8,11-12,23H,2,5-6,9-10,13-15H2,(H,24,27)
InChIKeyKFNWCNBBZVAMJJ-UHFFFAOYSA-N
XLogP2.85
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane (CID 138491309) is 7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane is c1cnn2ncc(-c3ccnc4[nH]c(CN5CCCC6(CCNC6)C5)cc34)c2c1.
What is the InChIKey of 7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is KFNWCNBBZVAMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-3-20-19(12-26-29(20)25-7-1)17-4-8-24-21-18(17)11-16(27-21)13-28-10-2-5-22(15-28)6-9-23-14-22/h1,3-4,7-8,11-12,23H,2,5-6,9-10,13-15H2,(H,24,27).
What are the key properties of 7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 387.49 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 138491309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).