3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C18H25N3OS — CID 97405825

IUPAC3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCc1ccc(CN2CCc3c(COCC4CC4)nn(C)c3C2)s1
InChIInChI=1S/C18H25N3OS/c1-13-3-6-15(23-13)9-21-8-7-16-17(12-22-11-14-4-5-14)19-20(2)18(16)10-21/h3,6,14H,4-5,7-12H2,1-2H3
InChIKeyYXERIFBZKDYDAQ-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.27
Rot. Bonds6

About 3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97405825) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97405825
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCc1ccc(CN2CCc3c(COCC4CC4)nn(C)c3C2)s1
InChIInChI=1S/C18H25N3OS/c1-13-3-6-15(23-13)9-21-8-7-16-17(12-22-11-14-4-5-14)19-20(2)18(16)10-21/h3,6,14H,4-5,7-12H2,1-2H3
InChIKeyYXERIFBZKDYDAQ-UHFFFAOYSA-N
XLogP3.27
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97405825) is 3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is Cc1ccc(CN2CCc3c(COCC4CC4)nn(C)c3C2)s1.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is YXERIFBZKDYDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13-3-6-15(23-13)9-21-8-7-16-17(12-22-11-14-4-5-14)19-20(2)18(16)10-21/h3,6,14H,4-5,7-12H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 331.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97405825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).