[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C16H15N5O2S — CID 72869384

IUPAC[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc(CSc2ncccn2)o1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H15N5O2S/c22-15(21-7-4-12-13(8-21)20-10-19-12)14-3-2-11(23-14)9-24-16-17-5-1-6-18-16/h1-3,5-6,10H,4,7-9H2,(H,19,20)
InChIKeyLAWDEWPNKZJBSO-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.28
Rot. Bonds4

About [5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 72869384) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is [5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID72869384
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc(CSc2ncccn2)o1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H15N5O2S/c22-15(21-7-4-12-13(8-21)20-10-19-12)14-3-2-11(23-14)9-24-16-17-5-1-6-18-16/h1-3,5-6,10H,4,7-9H2,(H,19,20)
InChIKeyLAWDEWPNKZJBSO-UHFFFAOYSA-N
XLogP2.28
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
CID 135117245
(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
CID 156607713
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
CID 97208911
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
(5-methyl-1,3,4-oxadiazol-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169166195
2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 53145210
(4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169166339
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one
CID 154782169
3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
CID 53145213

Frequently Asked Questions

What is the IUPAC name of [5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 72869384) is [5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(c1ccc(CSc2ncccn2)o1)N1CCc2nc[nH]c2C1.
What is the InChIKey of [5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is LAWDEWPNKZJBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-15(21-7-4-12-13(8-21)20-10-19-12)14-3-2-11(23-14)9-24-16-17-5-1-6-18-16/h1-3,5-6,10H,4,7-9H2,(H,19,20).
What are the key properties of [5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 341.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 72869384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).