1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone

C19H25N3O2S — CID 97467977

IUPAC1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone
SMILESCCn1ncc2c1[C@@H](COCC1CC1)N(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C19H25N3O2S/c1-2-22-19-16(10-20-22)5-7-21(17(19)12-24-11-14-3-4-14)18(23)9-15-6-8-25-13-15/h6,8,10,13-14,17H,2-5,7,9,11-12H2,1H3/t17-/m1/s1
InChIKeyVKAZCRWLHXLHGQ-QGZVFWFLSA-N
MW359.50 g/mol
LogP3.06
Rot. Bonds7

About 1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone

1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone (PubChem CID 97467977) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone
PubChem CID97467977
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone
SMILESCCn1ncc2c1[C@@H](COCC1CC1)N(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C19H25N3O2S/c1-2-22-19-16(10-20-22)5-7-21(17(19)12-24-11-14-3-4-14)18(23)9-15-6-8-25-13-15/h6,8,10,13-14,17H,2-5,7,9,11-12H2,1H3/t17-/m1/s1
InChIKeyVKAZCRWLHXLHGQ-QGZVFWFLSA-N
XLogP3.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone
CID 97467937
1-[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone
CID 134072111
1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-fluorophenyl)ethanone
CID 97368015
[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-phenylmethanone
CID 97467932
1-[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155862425
1-[(3aS,5S,7aS)-5-(cyclopropylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-thiophen-3-ylethanone
CID 124788320
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 124811735
1-[(7R)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone
CID 97467856
1-[(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 97468159
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone
CID 131639120
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 63394541
(4aR,9aR)-5-methyl-1-(2-thiophen-3-ylacetyl)-2,3,4,4a,7,8,9,9a-octahydropyrido[3,2-b]azepin-6-one
CID 110124806

Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone (CID 97467977) is 1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone is CCn1ncc2c1[C@@H](COCC1CC1)N(C(=O)Cc1ccsc1)CC2.
What is the InChIKey of 1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone?
The InChIKey is VKAZCRWLHXLHGQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-22-19-16(10-20-22)5-7-21(17(19)12-24-11-14-3-4-14)18(23)9-15-6-8-25-13-15/h6,8,10,13-14,17H,2-5,7,9,11-12H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone?
1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone has a molecular weight of 359.50 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 97467977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).