2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole

C22H25N7O — CID 168878860

IUPAC2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole
SMILESC=C1c2cn(-c3ccc(N4CCC(CC)C4)nn3)nc2CN1c1cncc(OC)c1
InChIInChI=1S/C22H25N7O/c1-4-16-7-8-27(12-16)21-5-6-22(25-24-21)29-13-19-15(2)28(14-20(19)26-29)17-9-18(30-3)11-23-10-17/h5-6,9-11,13,16H,2,4,7-8,12,14H2,1,3H3
InChIKeyGCDYYILKZFAQMV-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.29
Rot. Bonds5

About 2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole

2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole (PubChem CID 168878860) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole
PubChem CID168878860
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole
SMILESC=C1c2cn(-c3ccc(N4CCC(CC)C4)nn3)nc2CN1c1cncc(OC)c1
InChIInChI=1S/C22H25N7O/c1-4-16-7-8-27(12-16)21-5-6-22(25-24-21)29-13-19-15(2)28(14-20(19)26-29)17-9-18(30-3)11-23-10-17/h5-6,9-11,13,16H,2,4,7-8,12,14H2,1,3H3
InChIKeyGCDYYILKZFAQMV-UHFFFAOYSA-N
XLogP3.29
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole with MolForge

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Launch Full Analysis

Related Compounds

5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878897
2-[5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazin-2-yl]-5-(5-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878921
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 176622290
2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole
CID 168878807
5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879029
(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine
CID 69206304
2-(3-ethylazetidin-1-yl)-5-methoxypyridine
CID 154695178
4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
CID 163491311
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-[4-(2-trimethylsilylethoxymethoxy)-2-pyridinyl]-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168787061
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133493218
3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 143976869
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyridazin-3-yl]methanamine
CID 64581391

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole (CID 168878860) is 2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole is C=C1c2cn(-c3ccc(N4CCC(CC)C4)nn3)nc2CN1c1cncc(OC)c1.
What is the InChIKey of 2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole?
The InChIKey is GCDYYILKZFAQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-4-16-7-8-27(12-16)21-5-6-22(25-24-21)29-13-19-15(2)28(14-20(19)26-29)17-9-18(30-3)11-23-10-17/h5-6,9-11,13,16H,2,4,7-8,12,14H2,1,3H3.
What are the key properties of 2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole?
2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole has a molecular weight of 403.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-ethylpyrrolidin-1-yl)pyridazin-3-yl]-5-(5-methoxy-3-pyridinyl)-4-methylidene-6H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 168878860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).