2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C31H23N9O3S — CID 161435771

IUPAC2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCCOc1nc2nc(-c3ccco3)c(-c3ccncn3)cc2[nH]1.O=c1[nH]c2cc(-c3ccncc3)c(-c3cccs3)nc2[nH]1
InChIInChI=1S/C16H13N5O2.C15H10N4OS/c1-2-22-16-19-12-8-10(11-5-6-17-9-18-11)14(20-15(12)21-16)13-4-3-7-23-13;20-15-17-11-8-10(9-3-5-16-6-4-9)13(18-14(11)19-15)12-2-1-7-21-12/h3-9H,2H2,1H3,(H,19,20,21);1-8H,(H2,17,18,19,20)
InChIKeyVYPXBIBOARDKOQ-UHFFFAOYSA-N
MW601.65 g/mol
LogP6.12
Rot. Bonds6

About 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 161435771) has the molecular formula C31H23N9O3S and a molecular weight of 601.65 g/mol. Its IUPAC name is 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID161435771
Molecular FormulaC31H23N9O3S
Molecular Weight601.65 g/mol
Exact Mass601.16
IUPAC Name2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCCOc1nc2nc(-c3ccco3)c(-c3ccncn3)cc2[nH]1.O=c1[nH]c2cc(-c3ccncc3)c(-c3cccs3)nc2[nH]1
InChIInChI=1S/C16H13N5O2.C15H10N4OS/c1-2-22-16-19-12-8-10(11-5-6-17-9-18-11)14(20-15(12)21-16)13-4-3-7-23-13;20-15-17-11-8-10(9-3-5-16-6-4-9)13(18-14(11)19-15)12-2-1-7-21-12/h3-9H,2H2,1H3,(H,19,20,21);1-8H,(H2,17,18,19,20)
InChIKeyVYPXBIBOARDKOQ-UHFFFAOYSA-N
XLogP6.12
TPSA164.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.65
LogP ≤ 56.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

2-(1-((1H-Imidazo[4,5-b]pyridin-2-yl)methyl)piperidin-4-yl)-4-(benzofuran-2-yl)thiazole
CID 162675169
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504
4-(1-benzofuran-2-yl)-2-[1-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166633163
4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166634094
4-(1-benzofuran-2-yl)-2-[1-(7H-purin-8-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166635269
4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 127034649
1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 158576601
3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159452581
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159780650
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 161612650
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(1-benzothiophen-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 161678402
2-Ethoxy-5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952503

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 161435771) is 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is CCOc1nc2nc(-c3ccco3)c(-c3ccncn3)cc2[nH]1.O=c1[nH]c2cc(-c3ccncc3)c(-c3cccs3)nc2[nH]1.
What is the InChIKey of 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is VYPXBIBOARDKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2.C15H10N4OS/c1-2-22-16-19-12-8-10(11-5-6-17-9-18-11)14(20-15(12)21-16)13-4-3-7-23-13;20-15-17-11-8-10(9-3-5-16-6-4-9)13(18-14(11)19-15)12-2-1-7-21-12/h3-9H,2H2,1H3,(H,19,20,21);1-8H,(H2,17,18,19,20).
What are the key properties of 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 601.65 g/mol, XLogP of 6.12, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 161435771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).