N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

C16H17N3O3S — CID 111482418

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCSc1nc(C(=O)NCC(C)(O)c2ccco2)c2ccccn12
InChIInChI=1S/C16H17N3O3S/c1-16(21,12-7-5-9-22-12)10-17-14(20)13-11-6-3-4-8-19(11)15(18-13)23-2/h3-9,21H,10H2,1-2H3,(H,17,20)
InChIKeyQGURHQUHSMZZSN-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 111482418) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID111482418
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCSc1nc(C(=O)NCC(C)(O)c2ccco2)c2ccccn12
InChIInChI=1S/C16H17N3O3S/c1-16(21,12-7-5-9-22-12)10-17-14(20)13-11-6-3-4-8-19(11)15(18-13)23-2/h3-9,21H,10H2,1-2H3,(H,17,20)
InChIKeyQGURHQUHSMZZSN-UHFFFAOYSA-N
XLogP2.29
TPSA79.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 60560831
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 111481890
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 109477092
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide
CID 97321033
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
N-[2-(3-methylphenyl)ethyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 60611521
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 121085807
3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid
CID 119212010

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (CID 111482418) is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is CSc1nc(C(=O)NCC(C)(O)c2ccco2)c2ccccn12.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is QGURHQUHSMZZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-16(21,12-7-5-9-22-12)10-17-14(20)13-11-6-3-4-8-19(11)15(18-13)23-2/h3-9,21H,10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 111482418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).