[(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone

C18H23N3O2S — CID 97415434

IUPAC[(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
SMILESCCn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1cccs1)C2
InChIInChI=1S/C18H23N3O2S/c1-2-21-17-14(8-19-21)9-20(18(22)16-4-3-7-24-16)10-15(17)12-23-11-13-5-6-13/h3-4,7-8,13,15H,2,5-6,9-12H2,1H3/t15-/m0/s1
InChIKeyLCIBXZXALWGWCH-HNNXBMFYSA-N
MW345.47 g/mol
LogP3.13
Rot. Bonds6

About [(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone

[(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone (PubChem CID 97415434) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
PubChem CID97415434
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
SMILESCCn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1cccs1)C2
InChIInChI=1S/C18H23N3O2S/c1-2-21-17-14(8-19-21)9-20(18(22)16-4-3-7-24-16)10-15(17)12-23-11-13-5-6-13/h3-4,7-8,13,15H,2,5-6,9-12H2,1H3/t15-/m0/s1
InChIKeyLCIBXZXALWGWCH-HNNXBMFYSA-N
XLogP3.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 131653165
1-[(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97468528
[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
CID 131660956
[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 97468451
[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-2-yl)methanone
CID 97382796
[(7R)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-2-yl)methanone
CID 97382797
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 131658305
[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97468491
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-2-ylmethanone
CID 97463814
2-[(1S)-cyclopent-2-en-1-yl]-1-[(7R)-7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 97415430
[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone
CID 97382769
1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylsulfonylethanone
CID 97368207

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone (CID 97415434) is [(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone is CCn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1cccs1)C2.
What is the InChIKey of [(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The InChIKey is LCIBXZXALWGWCH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-21-17-14(8-19-21)9-20(18(22)16-4-3-7-24-16)10-15(17)12-23-11-13-5-6-13/h3-4,7-8,13,15H,2,5-6,9-12H2,1H3/t15-/m0/s1.
What are the key properties of [(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone?
[(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone has a molecular weight of 345.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97415434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).