(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C17H23N3OS — CID 97468137

IUPAC(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1cccs1)C2
InChIInChI=1S/C17H23N3OS/c1-19-7-14-8-20(10-16-3-2-6-22-16)9-15(17(14)18-19)12-21-11-13-4-5-13/h2-3,6-7,13,15H,4-5,8-12H2,1H3/t15-/m0/s1
InChIKeyJWGPTMMFNZGUTF-HNNXBMFYSA-N
MW317.46 g/mol
LogP3.01
Rot. Bonds6

About (7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 97468137) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is (7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID97468137
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1cccs1)C2
InChIInChI=1S/C17H23N3OS/c1-19-7-14-8-20(10-16-3-2-6-22-16)9-15(17(14)18-19)12-21-11-13-4-5-13/h2-3,6-7,13,15H,4-5,8-12H2,1H3/t15-/m0/s1
InChIKeyJWGPTMMFNZGUTF-HNNXBMFYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(ethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 133141649
(7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97468146
(7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382500
(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382483
(7R)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382482
1-[(7R)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97423285
(7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382463
(4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97382989
7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131654634
(7R)-7-(cyclopropylmethoxymethyl)-2-ethyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382590
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131644800
1-[(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 97468159

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of (7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 97468137) is (7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for (7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for (7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1cccs1)C2.
What is the InChIKey of (7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is JWGPTMMFNZGUTF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-19-7-14-8-20(10-16-3-2-6-22-16)9-15(17(14)18-19)12-21-11-13-4-5-13/h2-3,6-7,13,15H,4-5,8-12H2,1H3/t15-/m0/s1.
What are the key properties of (7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 317.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 97468137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).