4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine

C25H23FN8O — CID 77447553

IUPAC4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4cccnc4c3)nc(N3CC4CC(N)C4C3)c12
InChIInChI=1S/C25H23FN8O/c1-28-20-7-13(26)6-15-21-23(31-22(15)20)32-25(33-24(21)34-10-12-5-17(27)16(12)11-34)35-14-8-19-18(30-9-14)3-2-4-29-19/h2-4,6-9,12,16-17,28H,5,10-11,27H2,1H3,(H,31,32,33)
InChIKeyFXNXVUUSWFDYJM-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.81
Rot. Bonds4

About 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine

4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine (PubChem CID 77447553) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine.

Molecular Properties

Compound Name4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine
PubChem CID77447553
Molecular FormulaC25H23FN8O
Molecular Weight470.51 g/mol
Exact Mass470.20
IUPAC Name4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4cccnc4c3)nc(N3CC4CC(N)C4C3)c12
InChIInChI=1S/C25H23FN8O/c1-28-20-7-13(26)6-15-21-23(31-22(15)20)32-25(33-24(21)34-10-12-5-17(27)16(12)11-34)35-14-8-19-18(30-9-14)3-2-4-29-19/h2-4,6-9,12,16-17,28H,5,10-11,27H2,1H3,(H,31,32,33)
InChIKeyFXNXVUUSWFDYJM-UHFFFAOYSA-N
XLogP3.81
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine with MolForge

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Related Compounds

4-[(1s,5r,6r)-6-Amino-1-Methyl-3-Azabicyclo[3.2.0]hept-3-Yl]-6-Fluoro-N-Methyl-2-[(2-Methylpyrimidin-5-Yl)oxy]-9h-Pyrimido[4,5-B]indol-8-Amine
CID 66561983
(3R)-1-[5-chloro-6-ethyl-2-[(5-oxido-1,5-naphthyridin-5-ium-3-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 71561640
3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 71718200
4-[(1S,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine
CID 118708436
(1S,5R)-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 71563223
1-(4-methoxyphenyl)-2-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 168278844
US10457677, Example 136
CID 134325535
US10457677, Example 144
CID 134325557
US10457677, Example 152
CID 134325570
US10544143, Example 524
CID 138687072
4-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)-N-methylpyridin-2-amine
CID 146450441
4-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine
CID 146450470

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-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-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine (CID 77447553) is 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-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-N-methyl-2-(1,5-naphthyridin-3-yloxy)-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-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine is CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4cccnc4c3)nc(N3CC4CC(N)C4C3)c12.
What is the InChIKey of 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine?
The InChIKey is FXNXVUUSWFDYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O/c1-28-20-7-13(26)6-15-21-23(31-22(15)20)32-25(33-24(21)34-10-12-5-17(27)16(12)11-34)35-14-8-19-18(30-9-14)3-2-4-29-19/h2-4,6-9,12,16-17,28H,5,10-11,27H2,1H3,(H,31,32,33).
What are the key properties of 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine?
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine has a molecular weight of 470.51 g/mol, XLogP of 3.81, 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-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine is sourced from PubChem (CID 77447553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).