2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine

C28H15N11O2 — CID 141093979

IUPAC2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3[nH]c(-c4nc5ncccc5[nH]4)c(-c4n[nH]c5cccnc45)c3-c3nc4cccnc4o3)nc2c1
InChIInChI=1S/C28H15N11O2/c1-5-13-19(29-9-1)20(39-38-13)17-18(27-34-15-7-3-11-31-25(15)40-27)22(28-35-16-8-4-12-32-26(16)41-28)36-21(17)24-33-14-6-2-10-30-23(14)37-24/h1-12,36H,(H,38,39)(H,30,33,37)
InChIKeyFDJJHSNCEKOWRG-UHFFFAOYSA-N
MW537.50 g/mol
LogP5.30
Rot. Bonds4

About 2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine

2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 141093979) has the molecular formula C28H15N11O2 and a molecular weight of 537.50 g/mol. Its IUPAC name is 2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID141093979
Molecular FormulaC28H15N11O2
Molecular Weight537.50 g/mol
Exact Mass537.14
IUPAC Name2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3[nH]c(-c4nc5ncccc5[nH]4)c(-c4n[nH]c5cccnc45)c3-c3nc4cccnc4o3)nc2c1
InChIInChI=1S/C28H15N11O2/c1-5-13-19(29-9-1)20(39-38-13)17-18(27-34-15-7-3-11-31-25(15)40-27)22(28-35-16-8-4-12-32-26(16)41-28)36-21(17)24-33-14-6-2-10-30-23(14)37-24/h1-12,36H,(H,38,39)(H,30,33,37)
InChIKeyFDJJHSNCEKOWRG-UHFFFAOYSA-N
XLogP5.30
TPSA176.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.50
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine with MolForge

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Related Compounds

3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carboxamide
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2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
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CID 53379264
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N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
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N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
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US10934302, Example 61
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(3S,4S)-3-methyl-8-[3-[6-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
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N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine (CID 141093979) is 2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine is c1cnc2oc(-c3[nH]c(-c4nc5ncccc5[nH]4)c(-c4n[nH]c5cccnc45)c3-c3nc4cccnc4o3)nc2c1.
What is the InChIKey of 2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is FDJJHSNCEKOWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15N11O2/c1-5-13-19(29-9-1)20(39-38-13)17-18(27-34-15-7-3-11-31-25(15)40-27)22(28-35-16-8-4-12-32-26(16)41-28)36-21(17)24-33-14-6-2-10-30-23(14)37-24/h1-12,36H,(H,38,39)(H,30,33,37).
What are the key properties of 2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine?
2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 537.50 g/mol, XLogP of 5.30, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 141093979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).