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

C20H26FN3O — CID 118744991

IUPAC4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc2c(n1)CN(Cc1ccc(F)cc1)CC2COCC1CC1
InChIInChI=1S/C20H26FN3O/c1-2-24-11-19-17(14-25-13-16-3-4-16)10-23(12-20(19)22-24)9-15-5-7-18(21)8-6-15/h5-8,11,16-17H,2-4,9-10,12-14H2,1H3
InChIKeyJYDKYMXGOJXFNC-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.57
Rot. Bonds7

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

4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 118744991) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID118744991
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc2c(n1)CN(Cc1ccc(F)cc1)CC2COCC1CC1
InChIInChI=1S/C20H26FN3O/c1-2-24-11-19-17(14-25-13-16-3-4-16)10-23(12-20(19)22-24)9-15-5-7-18(21)8-6-15/h5-8,11,16-17H,2-4,9-10,12-14H2,1H3
InChIKeyJYDKYMXGOJXFNC-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 4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 118744991) is 4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is CCn1cc2c(n1)CN(Cc1ccc(F)cc1)CC2COCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is JYDKYMXGOJXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-2-24-11-19-17(14-25-13-16-3-4-16)10-23(12-20(19)22-24)9-15-5-7-18(21)8-6-15/h5-8,11,16-17H,2-4,9-10,12-14H2,1H3.
What are the key properties of 4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
4-(cyclopropylmethoxymethyl)-2-ethyl-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 4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 118744991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).