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

C16H23N3O2 — CID 131652990

IUPAC4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCOCC1CN(Cc2ccc(C)o2)Cc2nn(C)cc21
InChIInChI=1S/C16H23N3O2/c1-4-20-11-13-7-19(8-14-6-5-12(2)21-14)10-16-15(13)9-18(3)17-16/h5-6,9,13H,4,7-8,10-11H2,1-3H3
InChIKeyREGQKMRPZGVPFW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.46
Rot. Bonds5

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

4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 131652990) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID131652990
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCOCC1CN(Cc2ccc(C)o2)Cc2nn(C)cc21
InChIInChI=1S/C16H23N3O2/c1-4-20-11-13-7-19(8-14-6-5-12(2)21-14)10-16-15(13)9-18(3)17-16/h5-6,9,13H,4,7-8,10-11H2,1-3H3
InChIKeyREGQKMRPZGVPFW-UHFFFAOYSA-N
XLogP2.46
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131654634
(7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382848
(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382954
2-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131650589
4-(ethoxymethyl)-2-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 155834986
(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382827
4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 118745467
(4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97382989
7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131644437
6-(furan-2-ylmethyl)-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 155829954
(4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97383003
(7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383391

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 131652990) is 4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is CCOCC1CN(Cc2ccc(C)o2)Cc2nn(C)cc21.
What is the InChIKey of 4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is REGQKMRPZGVPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-20-11-13-7-19(8-14-6-5-12(2)21-14)10-16-15(13)9-18(3)17-16/h5-6,9,13H,4,7-8,10-11H2,1-3H3.
What are the key properties of 4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 289.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 131652990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).