2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol

C22H20FN5O2 — CID 137053516

IUPAC2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(-c3ccccc3F)cc(Nc3ccc(N4CCOCC4)cn3)c12
InChIInChI=1S/C22H20FN5O2/c23-16-4-2-1-3-15(16)17-11-18(21-19(26-17)13-25-22(21)29)27-20-6-5-14(12-24-20)28-7-9-30-10-8-28/h1-6,11-13,25,29H,7-10H2,(H,24,27)
InChIKeyKCMDQAIFHQKNRD-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.05
Rot. Bonds4

About 2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol

2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137053516) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137053516
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(-c3ccccc3F)cc(Nc3ccc(N4CCOCC4)cn3)c12
InChIInChI=1S/C22H20FN5O2/c23-16-4-2-1-3-15(16)17-11-18(21-19(26-17)13-25-22(21)29)27-20-6-5-14(12-24-20)28-7-9-30-10-8-28/h1-6,11-13,25,29H,7-10H2,(H,24,27)
InChIKeyKCMDQAIFHQKNRD-UHFFFAOYSA-N
XLogP4.05
TPSA86.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol with MolForge

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Related Compounds

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3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol
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(6-(6-methoxypyridin-3-ylamino)-5-(2-methyl-9H-purin-6-yl)pyridin-3-yl)methanol
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US11420970, Example 144
CID 164850536

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137053516) is 2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol is Oc1[nH]cc2nc(-c3ccccc3F)cc(Nc3ccc(N4CCOCC4)cn3)c12.
What is the InChIKey of 2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is KCMDQAIFHQKNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-16-4-2-1-3-15(16)17-11-18(21-19(26-17)13-25-22(21)29)27-20-6-5-14(12-24-20)28-7-9-30-10-8-28/h1-6,11-13,25,29H,7-10H2,(H,24,27).
What are the key properties of 2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 405.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137053516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).