1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one

C19H19N5O3 — CID 67077538

IUPAC1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cnc4[nH]ccc4c3)cc2n1C[C@H]1COC[C@@H](O)C1
InChIInChI=1S/C19H19N5O3/c25-15-3-11(9-27-10-15)8-24-16-5-14(7-22-18(16)23-19(24)26)13-4-12-1-2-20-17(12)21-6-13/h1-2,4-7,11,15,25H,3,8-10H2,(H,20,21)(H,22,23,26)/t11-,15-/m0/s1
InChIKeyKGENYTMUIIFFOT-NHYWBVRUSA-N
MW365.39 g/mol
LogP1.67
Rot. Bonds3

About 1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one

1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67077538) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID67077538
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cnc4[nH]ccc4c3)cc2n1C[C@H]1COC[C@@H](O)C1
InChIInChI=1S/C19H19N5O3/c25-15-3-11(9-27-10-15)8-24-16-5-14(7-22-18(16)23-19(24)26)13-4-12-1-2-20-17(12)21-6-13/h1-2,4-7,11,15,25H,3,8-10H2,(H,20,21)(H,22,23,26)/t11-,15-/m0/s1
InChIKeyKGENYTMUIIFFOT-NHYWBVRUSA-N
XLogP1.67
TPSA108.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

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CID 59460362
CID 121409157
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CID 10621189
CID 10621189
CID 137651016
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CID 11604803
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CID 57394326
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CID 59460440
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CID 86293581
CID 86293581

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 67077538) is 1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(-c3cnc4[nH]ccc4c3)cc2n1C[C@H]1COC[C@@H](O)C1.
What is the InChIKey of 1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is KGENYTMUIIFFOT-NHYWBVRUSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-15-3-11(9-27-10-15)8-24-16-5-14(7-22-18(16)23-19(24)26)13-4-12-1-2-20-17(12)21-6-13/h1-2,4-7,11,15,25H,3,8-10H2,(H,20,21)(H,22,23,26)/t11-,15-/m0/s1.
What are the key properties of 1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 365.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S,5S)-5-hydroxyoxan-3-yl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67077538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).