4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine

C24H22N6O2 — CID 162194950

IUPAC4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cccc2c1Cc1nc(Oc3cnc4ccoc4c3)nc(N3CC4C(N)C4C3)c1-2
InChIInChI=1S/C24H22N6O2/c1-26-17-4-2-3-13-14(17)8-19-21(13)23(30-10-15-16(11-30)22(15)25)29-24(28-19)32-12-7-20-18(27-9-12)5-6-31-20/h2-7,9,15-16,22,26H,8,10-11,25H2,1H3
InChIKeyHTEMIRJOFLOTEJ-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.42
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-indeno[2,1-d]pyrimidin-8-amine

4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 162194950) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 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-indeno[2,1-d]pyrimidin-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-indeno[2,1-d]pyrimidin-8-amine
PubChem CID162194950
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cccc2c1Cc1nc(Oc3cnc4ccoc4c3)nc(N3CC4C(N)C4C3)c1-2
InChIInChI=1S/C24H22N6O2/c1-26-17-4-2-3-13-14(17)8-19-21(13)23(30-10-15-16(11-30)22(15)25)29-24(28-19)32-12-7-20-18(27-9-12)5-6-31-20/h2-7,9,15-16,22,26H,8,10-11,25H2,1H3
InChIKeyHTEMIRJOFLOTEJ-UHFFFAOYSA-N
XLogP3.42
TPSA102.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
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-indeno[2,1-d]pyrimidin-8-amine with MolForge

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Related Compounds

4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159301015
4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 162019129
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 160601350
4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 172959252
4-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159051487
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-(1H-imidazo[4,5-b]pyridin-6-yloxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 161128310
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159611744
3-[6-fluoro-8-methyl-2-[2-(3-methylazetidin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 161128313
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159009104
4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-indeno[2,1-d]pyrimidin-8-amine
CID 162019809
[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-4-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 160786683
4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1-cyclopropylpyrrolo[2,3-b]pyridin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159749933

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-indeno[2,1-d]pyrimidin-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-indeno[2,1-d]pyrimidin-8-amine (CID 162194950) is 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-indeno[2,1-d]pyrimidin-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-indeno[2,1-d]pyrimidin-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-indeno[2,1-d]pyrimidin-8-amine is CNc1cccc2c1Cc1nc(Oc3cnc4ccoc4c3)nc(N3CC4C(N)C4C3)c1-2.
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-indeno[2,1-d]pyrimidin-8-amine?
The InChIKey is HTEMIRJOFLOTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-26-17-4-2-3-13-14(17)8-19-21(13)23(30-10-15-16(11-30)22(15)25)29-24(28-19)32-12-7-20-18(27-9-12)5-6-31-20/h2-7,9,15-16,22,26H,8,10-11,25H2,1H3.
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-indeno[2,1-d]pyrimidin-8-amine?
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 426.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 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-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 162194950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).