[4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C19H26N4OS — CID 31134478

IUPAC[4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)c1n[nH]c2c1CN(C1CCN(C(=O)c3cccs3)CC1)CC2
InChIInChI=1S/C19H26N4OS/c1-13(2)18-15-12-23(10-7-16(15)20-21-18)14-5-8-22(9-6-14)19(24)17-4-3-11-25-17/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,20,21)
InChIKeyFHJOFXQYQHJOLM-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.26
Rot. Bonds3

About [4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 31134478) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is [4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID31134478
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name[4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)c1n[nH]c2c1CN(C1CCN(C(=O)c3cccs3)CC1)CC2
InChIInChI=1S/C19H26N4OS/c1-13(2)18-15-12-23(10-7-16(15)20-21-18)14-5-8-22(9-6-14)19(24)17-4-3-11-25-17/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,20,21)
InChIKeyFHJOFXQYQHJOLM-UHFFFAOYSA-N
XLogP3.26
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone 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

[4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 99996205
[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 83280787
N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693237
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
(3aS,7aR)-3-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 24883080
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 56910846
(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one
CID 137337165
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642

Frequently Asked Questions

What is the IUPAC name of [4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 31134478) is [4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone is CC(C)c1n[nH]c2c1CN(C1CCN(C(=O)c3cccs3)CC1)CC2.
What is the InChIKey of [4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is FHJOFXQYQHJOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13(2)18-15-12-23(10-7-16(15)20-21-18)14-5-8-22(9-6-14)19(24)17-4-3-11-25-17/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,20,21).
What are the key properties of [4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 358.51 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 31134478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).