[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone

C17H22N4OS — CID 97405017

IUPAC[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
SMILESCn1nc(CN2CCCC2)c2c1CN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C17H22N4OS/c1-19-16-11-21(17(22)13-5-9-23-12-13)8-4-14(16)15(18-19)10-20-6-2-3-7-20/h5,9,12H,2-4,6-8,10-11H2,1H3
InChIKeyBOTOIMLFSAEXMD-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.28
Rot. Bonds3

About [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone

[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone (PubChem CID 97405017) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
PubChem CID97405017
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
SMILESCn1nc(CN2CCCC2)c2c1CN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C17H22N4OS/c1-19-16-11-21(17(22)13-5-9-23-12-13)8-4-14(16)15(18-19)10-20-6-2-3-7-20/h5,9,12H,2-4,6-8,10-11H2,1H3
InChIKeyBOTOIMLFSAEXMD-UHFFFAOYSA-N
XLogP2.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 97405332
[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72911179
6-[(4-fluorophenyl)methyl]-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155841701
[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 71837250
[1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
CID 97405024
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 80666043
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 56816308
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 90647769
(3-methylphenyl)-[1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
CID 97405025
1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746520
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
formic acid;thiophen-3-yl-[4-[2-(1,2,4-triazol-4-yl)ethyl]-1,4-diazepan-1-yl]methanone
CID 154919335

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone?
The IUPAC name of [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone (CID 97405017) is [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone is Cn1nc(CN2CCCC2)c2c1CN(C(=O)c1ccsc1)CC2.
What is the InChIKey of [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone?
The InChIKey is BOTOIMLFSAEXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-19-16-11-21(17(22)13-5-9-23-12-13)8-4-14(16)15(18-19)10-20-6-2-3-7-20/h5,9,12H,2-4,6-8,10-11H2,1H3.
What are the key properties of [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone?
[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone has a molecular weight of 330.46 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97405017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).