4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine

C23H21N7O2 — CID 66549288

IUPAC4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cccc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3CC4C(N)C4C3)c12
InChIInChI=1S/C23H21N7O2/c1-25-16-4-2-3-12-18-21(27-20(12)16)28-23(29-22(18)30-9-13-14(10-30)19(13)24)32-11-7-17-15(26-8-11)5-6-31-17/h2-8,13-14,19,25H,9-10,24H2,1H3,(H,27,28,29)
InChIKeyFFEWACQLMQMBGW-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.48
Rot. Bonds4

About 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine

4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine (PubChem CID 66549288) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-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[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
PubChem CID66549288
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cccc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3CC4C(N)C4C3)c12
InChIInChI=1S/C23H21N7O2/c1-25-16-4-2-3-12-18-21(27-20(12)16)28-23(29-22(18)30-9-13-14(10-30)19(13)24)32-11-7-17-15(26-8-11)5-6-31-17/h2-8,13-14,19,25H,9-10,24H2,1H3,(H,27,28,29)
InChIKeyFFEWACQLMQMBGW-UHFFFAOYSA-N
XLogP3.48
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-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[3.1.0]hexan-3-yl)-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[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine (CID 66549288) is 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-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[3.1.0]hexan-3-yl)-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[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine is CNc1cccc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3CC4C(N)C4C3)c12.
What is the InChIKey of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
The InChIKey is FFEWACQLMQMBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-25-16-4-2-3-12-18-21(27-20(12)16)28-23(29-22(18)30-9-13-14(10-30)19(13)24)32-11-7-17-15(26-8-11)5-6-31-17/h2-8,13-14,19,25H,9-10,24H2,1H3,(H,27,28,29).
What are the key properties of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine has a molecular weight of 427.47 g/mol, XLogP of 3.48, 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[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine is sourced from PubChem (CID 66549288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).