[3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone

C16H17N5O2S — CID 30956925

IUPAC[3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
SMILESCOCc1n[nH]c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2
InChIInChI=1S/C16H17N5O2S/c1-23-8-15-11-7-21(4-2-12(11)17-20-15)16(22)14-6-13(18-19-14)10-3-5-24-9-10/h3,5-6,9H,2,4,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyRUPMNXRIPDTSJO-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.21
Rot. Bonds4

About [3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone

[3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 30956925) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is [3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID30956925
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name[3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
SMILESCOCc1n[nH]c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2
InChIInChI=1S/C16H17N5O2S/c1-23-8-15-11-7-21(4-2-12(11)17-20-15)16(22)14-6-13(18-19-14)10-3-5-24-9-10/h3,5-6,9H,2,4,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyRUPMNXRIPDTSJO-UHFFFAOYSA-N
XLogP2.21
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone 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

[3-(2-Fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 28809867
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)(4-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 71792992
[3-(hydroxymethyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl][3-(2-thienyl)-1H-pyrazol-5-yl]methanone
CID 71837222
2-(2-methoxyethyl)-8-{[3-(3-thienyl)-1H-pyrazol-5-yl]carbonyl}-2,8-diazaspiro[5.5]undecan-3-one
CID 72907071
[(S)-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]-1-piperidyl][3-(2-thienyl)-5-pyrazolyl]methanone
CID 97426954
(R)-1'-{[3-(2-thienyl)-5-pyrazolyl]carbonyl}-3H-spiro[isobenzofuran-1,3'-piperidin]-3-one
CID 99983761
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)(4-(2-hydroxy-2-(thiophen-2-yl)ethyl)piperazin-1-yl)methanone
CID 49669880
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70729636
(6S)-2-(2-methoxyethyl)-8-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97280661
N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
CID 129610166
N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
CID 171359327
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 39120169

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone (CID 30956925) is [3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone is COCc1n[nH]c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2.
What is the InChIKey of [3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is RUPMNXRIPDTSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-23-8-15-11-7-21(4-2-12(11)17-20-15)16(22)14-6-13(18-19-14)10-3-5-24-9-10/h3,5-6,9H,2,4,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of [3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
[3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 343.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 30956925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).