[4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone

C17H14IN3O3 — CID 170785513

IUPAC[4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccnc3cc(I)oc23)ccn1)N1CCOCC1
InChIInChI=1S/C17H14IN3O3/c18-15-10-13-16(24-15)12(2-4-19-13)11-1-3-20-14(9-11)17(22)21-5-7-23-8-6-21/h1-4,9-10H,5-8H2
InChIKeyYGHFIDLSANSWPU-UHFFFAOYSA-N
MW435.22 g/mol
LogP2.97
Rot. Bonds2

About [4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone

[4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 170785513) has the molecular formula C17H14IN3O3 and a molecular weight of 435.22 g/mol. Its IUPAC name is [4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID170785513
Molecular FormulaC17H14IN3O3
Molecular Weight435.22 g/mol
Exact Mass435.01
IUPAC Name[4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccnc3cc(I)oc23)ccn1)N1CCOCC1
InChIInChI=1S/C17H14IN3O3/c18-15-10-13-16(24-15)12(2-4-19-13)11-1-3-20-14(9-11)17(22)21-5-7-23-8-6-21/h1-4,9-10H,5-8H2
InChIKeyYGHFIDLSANSWPU-UHFFFAOYSA-N
XLogP2.97
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785343
(4-imidazol-1-yl-2-pyridinyl)-morpholin-4-ylmethanone
CID 71801444
1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
morpholin-4-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109082844
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
(2-aminopyrimidin-4-yl)-morpholin-4-ylmethanone
CID 117212768
[4-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56898986
[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206553
N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083009
1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109206514

Frequently Asked Questions

What is the IUPAC name of [4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone (CID 170785513) is [4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccnc3cc(I)oc23)ccn1)N1CCOCC1.
What is the InChIKey of [4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is YGHFIDLSANSWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN3O3/c18-15-10-13-16(24-15)12(2-4-19-13)11-1-3-20-14(9-11)17(22)21-5-7-23-8-6-21/h1-4,9-10H,5-8H2.
What are the key properties of [4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone?
[4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 435.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 170785513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).