4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine

C24H23FN8O — CID 90066467

IUPAC4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3ccc4ccnn4c3)nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c12
InChIInChI=1S/C24H23FN8O/c1-27-19-8-13(25)7-17-20-22(29-21(17)19)30-24(34-16-3-2-14-4-5-28-33(14)11-16)31-23(20)32-10-12-6-15(32)9-18(12)26/h2-5,7-8,11-12,15,18,27H,6,9-10,26H2,1H3,(H,29,30,31)/t12-,15-,18-/m1/s1
InChIKeyFFAAEBNVFVLFPM-CDHAZOANSA-N
MW458.50 g/mol
LogP3.66
Rot. Bonds4

About 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine

4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine (PubChem CID 90066467) has the molecular formula C24H23FN8O and a molecular weight of 458.50 g/mol. Its IUPAC name is 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine.

Molecular Properties

Compound Name4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine
PubChem CID90066467
Molecular FormulaC24H23FN8O
Molecular Weight458.50 g/mol
Exact Mass458.20
IUPAC Name4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3ccc4ccnn4c3)nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c12
InChIInChI=1S/C24H23FN8O/c1-27-19-8-13(25)7-17-20-22(29-21(17)19)30-24(34-16-3-2-14-4-5-28-33(14)11-16)31-23(20)32-10-12-6-15(32)9-18(12)26/h2-5,7-8,11-12,15,18,27H,6,9-10,26H2,1H3,(H,29,30,31)/t12-,15-,18-/m1/s1
InChIKeyFFAAEBNVFVLFPM-CDHAZOANSA-N
XLogP3.66
TPSA109.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-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-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine?
The IUPAC name of 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine (CID 90066467) is 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine.
What is the SMILES notation for 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine?
The canonical SMILES for 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine is CNc1cc(F)cc2c1[nH]c1nc(Oc3ccc4ccnn4c3)nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c12.
What is the InChIKey of 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine?
The InChIKey is FFAAEBNVFVLFPM-CDHAZOANSA-N. The full InChI is InChI=1S/C24H23FN8O/c1-27-19-8-13(25)7-17-20-22(29-21(17)19)30-24(34-16-3-2-14-4-5-28-33(14)11-16)31-23(20)32-10-12-6-15(32)9-18(12)26/h2-5,7-8,11-12,15,18,27H,6,9-10,26H2,1H3,(H,29,30,31)/t12-,15-,18-/m1/s1.
What are the key properties of 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine?
4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine has a molecular weight of 458.50 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine is sourced from PubChem (CID 90066467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).