4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine

C24H21FN8O — CID 66551096

IUPAC4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1c(F)ccc2c1[nH]c1nc(Oc3cnc4cccnc4c3)nc(N3CC4C(N)C4C3)c12
InChIInChI=1S/C24H21FN8O/c1-27-21-15(25)5-4-12-18-22(30-20(12)21)31-24(32-23(18)33-9-13-14(10-33)19(13)26)34-11-7-17-16(29-8-11)3-2-6-28-17/h2-8,13-14,19,27H,9-10,26H2,1H3,(H,30,31,32)
InChIKeyBHIJHIOBJVPAJR-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.42
Rot. Bonds4

About 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine

4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine (PubChem CID 66551096) has the molecular formula C24H21FN8O and a molecular weight of 456.49 g/mol. Its IUPAC name is 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-7-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[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine
PubChem CID66551096
Molecular FormulaC24H21FN8O
Molecular Weight456.49 g/mol
Exact Mass456.18
IUPAC Name4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1c(F)ccc2c1[nH]c1nc(Oc3cnc4cccnc4c3)nc(N3CC4C(N)C4C3)c12
InChIInChI=1S/C24H21FN8O/c1-27-21-15(25)5-4-12-18-22(30-20(12)21)31-24(32-23(18)33-9-13-14(10-33)19(13)26)34-11-7-17-16(29-8-11)3-2-6-28-17/h2-8,13-14,19,27H,9-10,26H2,1H3,(H,30,31,32)
InChIKeyBHIJHIOBJVPAJR-UHFFFAOYSA-N
XLogP3.42
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-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)-7-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[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine (CID 66551096) is 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-7-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[3.1.0]hexan-3-yl)-7-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[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine is CNc1c(F)ccc2c1[nH]c1nc(Oc3cnc4cccnc4c3)nc(N3CC4C(N)C4C3)c12.
What is the InChIKey of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine?
The InChIKey is BHIJHIOBJVPAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8O/c1-27-21-15(25)5-4-12-18-22(30-20(12)21)31-24(32-23(18)33-9-13-14(10-33)19(13)26)34-11-7-17-16(29-8-11)3-2-6-28-17/h2-8,13-14,19,27H,9-10,26H2,1H3,(H,30,31,32).
What are the key properties of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine?
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine has a molecular weight of 456.49 g/mol, XLogP of 3.42, 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)-7-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine is sourced from PubChem (CID 66551096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).