1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C17H23N3OS — CID 131653386

IUPAC1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCC1CN(Cc2ccsc2)Cc2c1cnn2CC1CC1
InChIInChI=1S/C17H23N3OS/c1-21-11-15-9-19(7-14-4-5-22-12-14)10-17-16(15)6-18-20(17)8-13-2-3-13/h4-6,12-13,15H,2-3,7-11H2,1H3
InChIKeyODOXGGJTSFGEKH-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.10
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 131653386) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID131653386
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCC1CN(Cc2ccsc2)Cc2c1cnn2CC1CC1
InChIInChI=1S/C17H23N3OS/c1-21-11-15-9-19(7-14-4-5-22-12-14)10-17-16(15)6-18-20(17)8-13-2-3-13/h4-6,12-13,15H,2-3,7-11H2,1H3
InChIKeyODOXGGJTSFGEKH-UHFFFAOYSA-N
XLogP3.10
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine with MolForge

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Related Compounds

1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 171694396
1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 131653338
[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
CID 97468059
[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
CID 131660956
(4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97368057
(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368805
1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone
CID 97368078
4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 131659557
1-[(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
CID 97468062
[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97468491
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368938
(4R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97383081

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 131653386) is 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is COCC1CN(Cc2ccsc2)Cc2c1cnn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is ODOXGGJTSFGEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-21-11-15-9-19(7-14-4-5-22-12-14)10-17-16(15)6-18-20(17)8-13-2-3-13/h4-6,12-13,15H,2-3,7-11H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 317.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 131653386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).