2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

C20H26FN3O — CID 118739554

IUPAC2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCOCC1CN(Cc2ccc(F)cc2)Cc2nn(CC3CC3)cc21
InChIInChI=1S/C20H26FN3O/c1-2-25-14-17-11-23(9-15-5-7-18(21)8-6-15)13-20-19(17)12-24(22-20)10-16-3-4-16/h5-8,12,16-17H,2-4,9-11,13-14H2,1H3
InChIKeyUEUAOIZRIKCUAL-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.57
Rot. Bonds7

About 2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 118739554) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID118739554
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCOCC1CN(Cc2ccc(F)cc2)Cc2nn(CC3CC3)cc21
InChIInChI=1S/C20H26FN3O/c1-2-25-14-17-11-23(9-15-5-7-18(21)8-6-15)13-20-19(17)12-24(22-20)10-16-3-4-16/h5-8,12,16-17H,2-4,9-11,13-14H2,1H3
InChIKeyUEUAOIZRIKCUAL-UHFFFAOYSA-N
XLogP3.57
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 118739554) is 2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is CCOCC1CN(Cc2ccc(F)cc2)Cc2nn(CC3CC3)cc21.
What is the InChIKey of 2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is UEUAOIZRIKCUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-2-25-14-17-11-23(9-15-5-7-18(21)8-6-15)13-20-19(17)12-24(22-20)10-16-3-4-16/h5-8,12,16-17H,2-4,9-11,13-14H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 343.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 118739554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).