3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C16H23N3OS — CID 97381635

IUPAC3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1ccsc1)C2
InChIInChI=1S/C16H23N3OS/c1-12(2)19-16-9-18(8-13-5-7-21-11-13)6-4-14(16)15(17-19)10-20-3/h5,7,11-12H,4,6,8-10H2,1-3H3
InChIKeyRGBLWLSJRPODPR-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.23
Rot. Bonds5

About 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97381635) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97381635
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1ccsc1)C2
InChIInChI=1S/C16H23N3OS/c1-12(2)19-16-9-18(8-13-5-7-21-11-13)6-4-14(16)15(17-19)10-20-3/h5,7,11-12H,4,6,8-10H2,1-3H3
InChIKeyRGBLWLSJRPODPR-UHFFFAOYSA-N
XLogP3.23
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97381627
3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97381633
3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97381639
1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405717
1-(cyclopropylmethyl)-3-(methoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405741
3-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97405825
3-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97410176
3-(ethoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97519889
1-(cyclopropylmethyl)-3-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97519902
4-(methoxymethyl)-2-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 118745508
1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 118743685
3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 118744227

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97381635) is 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is COCc1nn(C(C)C)c2c1CCN(Cc1ccsc1)C2.
What is the InChIKey of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is RGBLWLSJRPODPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-12(2)19-16-9-18(8-13-5-7-21-11-13)6-4-14(16)15(17-19)10-20-3/h5,7,11-12H,4,6,8-10H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 305.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97381635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).