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

C18H25N3OS — CID 118739519

IUPAC4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCc1ccc(CN2Cc3c(cnn3C)C(COCC3CC3)C2)s1
InChIInChI=1S/C18H25N3OS/c1-13-3-6-16(23-13)9-21-8-15(12-22-11-14-4-5-14)17-7-19-20(2)18(17)10-21/h3,6-7,14-15H,4-5,8-12H2,1-2H3
InChIKeyUBMJFFZKKNYPHW-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.32
Rot. Bonds6

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

4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 118739519) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID118739519
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCc1ccc(CN2Cc3c(cnn3C)C(COCC3CC3)C2)s1
InChIInChI=1S/C18H25N3OS/c1-13-3-6-16(23-13)9-21-8-15(12-22-11-14-4-5-14)17-7-19-20(2)18(17)10-21/h3,6-7,14-15H,4-5,8-12H2,1-2H3
InChIKeyUBMJFFZKKNYPHW-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 118739519) is 4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is Cc1ccc(CN2Cc3c(cnn3C)C(COCC3CC3)C2)s1.
What is the InChIKey of 4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is UBMJFFZKKNYPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13-3-6-16(23-13)9-21-8-15(12-22-11-14-4-5-14)17-7-19-20(2)18(17)10-21/h3,6-7,14-15H,4-5,8-12H2,1-2H3.
What are the key properties of 4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
4-(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 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 118739519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).