4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine

C24H22FN7O2 — CID 147460014

IUPAC4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3CC4CC(N)C4C3)c12
InChIInChI=1S/C24H22FN7O2/c1-27-18-6-12(25)5-14-20-22(29-21(14)18)30-24(34-13-7-19-17(28-8-13)2-3-33-19)31-23(20)32-9-11-4-16(26)15(11)10-32/h2-3,5-8,11,15-16,27H,4,9-10,26H2,1H3,(H,29,30,31)
InChIKeyDZTCZOOZHRYBKB-UHFFFAOYSA-N
MW459.49 g/mol
LogP4.01
Rot. Bonds4

About 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine

4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine (PubChem CID 147460014) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine.

Molecular Properties

Compound Name4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
PubChem CID147460014
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3CC4CC(N)C4C3)c12
InChIInChI=1S/C24H22FN7O2/c1-27-18-6-12(25)5-14-20-22(29-21(14)18)30-24(34-13-7-19-17(28-8-13)2-3-33-19)31-23(20)32-9-11-4-16(26)15(11)10-32/h2-3,5-8,11,15-16,27H,4,9-10,26H2,1H3,(H,29,30,31)
InChIKeyDZTCZOOZHRYBKB-UHFFFAOYSA-N
XLogP4.01
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
The IUPAC name of 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine (CID 147460014) is 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine.
What is the SMILES notation for 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
The canonical SMILES for 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine is CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3CC4CC(N)C4C3)c12.
What is the InChIKey of 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
The InChIKey is DZTCZOOZHRYBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-27-18-6-12(25)5-14-20-22(29-21(14)18)30-24(34-13-7-19-17(28-8-13)2-3-33-19)31-23(20)32-9-11-4-16(26)15(11)10-32/h2-3,5-8,11,15-16,27H,4,9-10,26H2,1H3,(H,29,30,31).
What are the key properties of 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine has a molecular weight of 459.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine is sourced from PubChem (CID 147460014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).