N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C21H23N3O2S — CID 75472763

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCC(O)(CNC(=O)C1CCn2c(cnc2-c2ccccc2)C1)c1ccsc1
InChIInChI=1S/C21H23N3O2S/c1-21(26,17-8-10-27-13-17)14-23-20(25)16-7-9-24-18(11-16)12-22-19(24)15-5-3-2-4-6-15/h2-6,8,10,12-13,16,26H,7,9,11,14H2,1H3,(H,23,25)
InChIKeyNZXCNNHLPGUSPM-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.20
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 75472763) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID75472763
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCC(O)(CNC(=O)C1CCn2c(cnc2-c2ccccc2)C1)c1ccsc1
InChIInChI=1S/C21H23N3O2S/c1-21(26,17-8-10-27-13-17)14-23-20(25)16-7-9-24-18(11-16)12-22-19(24)15-5-3-2-4-6-15/h2-6,8,10,12-13,16,26H,7,9,11,14H2,1H3,(H,23,25)
InChIKeyNZXCNNHLPGUSPM-UHFFFAOYSA-N
XLogP3.20
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide with MolForge

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Related Compounds

methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate
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1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 111452200
3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
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N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
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CID 71979797
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CID 90497506
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 96521382
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 96567083
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 75472763) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is CC(O)(CNC(=O)C1CCn2c(cnc2-c2ccccc2)C1)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is NZXCNNHLPGUSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-21(26,17-8-10-27-13-17)14-23-20(25)16-7-9-24-18(11-16)12-22-19(24)15-5-3-2-4-6-15/h2-6,8,10,12-13,16,26H,7,9,11,14H2,1H3,(H,23,25).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 75472763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).