6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C56H57N17O4 — CID 158952776

IUPAC6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCC(C)Oc1ccnc2[nH]cc(-c3cccc(N)n3)c12.CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12.CCOc1ccnc2[nH]cc(-c3cccc(N)n3)c12.COc1ccnc2[nH]cc(-c3cccc(N)n3)c12
InChIInChI=1S/C15H16N4O.C14H15N5O.C14H14N4O.C13H12N4O/c1-9(2)20-12-6-7-17-15-14(12)10(8-18-15)11-4-3-5-13(16)19-11;1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10;1-2-19-11-6-7-16-14-13(11)9(8-17-14)10-4-3-5-12(15)18-10;1-18-10-5-6-15-13-12(10)8(7-16-13)9-3-2-4-11(14)17-9/h3-9H,1-2H3,(H2,16,19)(H,17,18);3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19);3-8H,2H2,1H3,(H2,15,18)(H,16,17);2-7H,1H3,(H2,14,17)(H,15,16)
InChIKeyJLQHAHZGERBLEO-UHFFFAOYSA-N
MW1032.19 g/mol
LogP10.21
Rot. Bonds12

About 6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 158952776) has the molecular formula C56H57N17O4 and a molecular weight of 1032.19 g/mol. Its IUPAC name is 6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID158952776
Molecular FormulaC56H57N17O4
Molecular Weight1032.19 g/mol
Exact Mass1031.48
IUPAC Name6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCC(C)Oc1ccnc2[nH]cc(-c3cccc(N)n3)c12.CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12.CCOc1ccnc2[nH]cc(-c3cccc(N)n3)c12.COc1ccnc2[nH]cc(-c3cccc(N)n3)c12
InChIInChI=1S/C15H16N4O.C14H15N5O.C14H14N4O.C13H12N4O/c1-9(2)20-12-6-7-17-15-14(12)10(8-18-15)11-4-3-5-13(16)19-11;1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10;1-2-19-11-6-7-16-14-13(11)9(8-17-14)10-4-3-5-12(15)18-10;1-18-10-5-6-15-13-12(10)8(7-16-13)9-3-2-4-11(14)17-9/h3-9H,1-2H3,(H2,16,19)(H,17,18);3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19);3-8H,2H2,1H3,(H2,15,18)(H,16,17);2-7H,1H3,(H2,14,17)(H,15,16)
InChIKeyJLQHAHZGERBLEO-UHFFFAOYSA-N
XLogP10.21
TPSA320.17 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001032.19
LogP ≤ 510.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 158952776) is 6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is CC(C)Oc1ccnc2[nH]cc(-c3cccc(N)n3)c12.CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12.CCOc1ccnc2[nH]cc(-c3cccc(N)n3)c12.COc1ccnc2[nH]cc(-c3cccc(N)n3)c12.
What is the InChIKey of 6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is JLQHAHZGERBLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.C14H15N5O.C14H14N4O.C13H12N4O/c1-9(2)20-12-6-7-17-15-14(12)10(8-18-15)11-4-3-5-13(16)19-11;1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10;1-2-19-11-6-7-16-14-13(11)9(8-17-14)10-4-3-5-12(15)18-10;1-18-10-5-6-15-13-12(10)8(7-16-13)9-3-2-4-11(14)17-9/h3-9H,1-2H3,(H2,16,19)(H,17,18);3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19);3-8H,2H2,1H3,(H2,15,18)(H,16,17);2-7H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 1032.19 g/mol, XLogP of 10.21, 12 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 158952776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).