3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C22H24N4O2 — CID 71085888

IUPAC3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2ncc(C)cc2-c2cnn3c2CCC3)nc1
InChIInChI=1S/C22H24N4O2/c1-14-8-18(19-12-25-26-7-3-4-21(19)26)22(24-10-14)28-13-15-9-17(15)20-6-5-16(27-2)11-23-20/h5-6,8,10-12,15,17H,3-4,7,9,13H2,1-2H3/t15-,17+/m1/s1
InChIKeyGHQCBMSEFZPBLC-WBVHZDCISA-N
MW376.46 g/mol
LogP3.79
Rot. Bonds6

About 3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 71085888) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID71085888
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2ncc(C)cc2-c2cnn3c2CCC3)nc1
InChIInChI=1S/C22H24N4O2/c1-14-8-18(19-12-25-26-7-3-4-21(19)26)22(24-10-14)28-13-15-9-17(15)20-6-5-16(27-2)11-23-20/h5-6,8,10-12,15,17H,3-4,7,9,13H2,1-2H3/t15-,17+/m1/s1
InChIKeyGHQCBMSEFZPBLC-WBVHZDCISA-N
XLogP3.79
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 71085888) is 3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is COc1ccc([C@H]2C[C@@H]2COc2ncc(C)cc2-c2cnn3c2CCC3)nc1.
What is the InChIKey of 3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is GHQCBMSEFZPBLC-WBVHZDCISA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-8-18(19-12-25-26-7-3-4-21(19)26)22(24-10-14)28-13-15-9-17(15)20-6-5-16(27-2)11-23-20/h5-6,8,10-12,15,17H,3-4,7,9,13H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of 3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 376.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 71085888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).