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

C19H14ClFN4O2 — CID 137031188

IUPAC2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c[nH]c(O)c23)nc1
InChIInChI=1S/C19H14ClFN4O2/c1-27-10-5-6-16(22-8-10)25-14-7-13(17-11(20)3-2-4-12(17)21)24-15-9-23-19(26)18(14)15/h2-9,23,26H,1H3,(H,22,25)
InChIKeyDCRZBRADZMQNJG-UHFFFAOYSA-N
MW384.80 g/mol
LogP4.88
Rot. Bonds4

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

2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137031188) has the molecular formula C19H14ClFN4O2 and a molecular weight of 384.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137031188
Molecular FormulaC19H14ClFN4O2
Molecular Weight384.80 g/mol
Exact Mass384.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c[nH]c(O)c23)nc1
InChIInChI=1S/C19H14ClFN4O2/c1-27-10-5-6-16(22-8-10)25-14-7-13(17-11(20)3-2-4-12(17)21)24-15-9-23-19(26)18(14)15/h2-9,23,26H,1H3,(H,22,25)
InChIKeyDCRZBRADZMQNJG-UHFFFAOYSA-N
XLogP4.88
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137031188) is 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol is COc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c[nH]c(O)c23)nc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is DCRZBRADZMQNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2/c1-27-10-5-6-16(22-8-10)25-14-7-13(17-11(20)3-2-4-12(17)21)24-15-9-23-19(26)18(14)15/h2-9,23,26H,1H3,(H,22,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 384.80 g/mol, XLogP of 4.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137031188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).