4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine

C25H26FN7O — CID 159700850

IUPAC4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3CC4C[C@H]3C[C@@H]4N)c1-2
InChIInChI=1S/C25H26FN7O/c1-28-20-6-14(26)5-18-17(20)8-21-22(18)24(33-11-13-4-15(33)7-19(13)27)32-25(31-21)34-16-9-29-23(30-10-16)12-2-3-12/h5-6,9-10,12-13,15,19,28H,2-4,7-8,11,27H2,1H3/t13?,15-,19-/m0/s1
InChIKeyIVDJIPBWTQTEQL-GDSKCEIESA-N
MW459.53 g/mol
LogP3.61
Rot. Bonds5

About 4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine

4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 159700850) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is 4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

Compound Name4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
PubChem CID159700850
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC Name4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3CC4C[C@H]3C[C@@H]4N)c1-2
InChIInChI=1S/C25H26FN7O/c1-28-20-6-14(26)5-18-17(20)8-21-22(18)24(33-11-13-4-15(33)7-19(13)27)32-25(31-21)34-16-9-29-23(30-10-16)12-2-3-12/h5-6,9-10,12-13,15,19,28H,2-4,7-8,11,27H2,1H3/t13?,15-,19-/m0/s1
InChIKeyIVDJIPBWTQTEQL-GDSKCEIESA-N
XLogP3.61
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine with MolForge

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Related Compounds

4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine
CID 160561686
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-[(4R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 130338790
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
4-(6-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 161381439
4-[(7R)-7-amino-2-azaspiro[3.3]heptan-2-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158332234
1-[5-[[4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyrimidin-2-yl]ethanol
CID 118346622
1-[5-[[4-(5-amino-2-azabicyclo[2.2.1]heptan-2-yl)-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyrimidin-2-yl]ethanol
CID 77447530
[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-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158332232
4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-2-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 155370943

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine?
The IUPAC name of 4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine (CID 159700850) is 4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine.
What is the SMILES notation for 4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine?
The canonical SMILES for 4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3CC4C[C@H]3C[C@@H]4N)c1-2.
What is the InChIKey of 4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine?
The InChIKey is IVDJIPBWTQTEQL-GDSKCEIESA-N. The full InChI is InChI=1S/C25H26FN7O/c1-28-20-6-14(26)5-18-17(20)8-21-22(18)24(33-11-13-4-15(33)7-19(13)27)32-25(31-21)34-16-9-29-23(30-10-16)12-2-3-12/h5-6,9-10,12-13,15,19,28H,2-4,7-8,11,27H2,1H3/t13?,15-,19-/m0/s1.
What are the key properties of 4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine?
4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 459.53 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 159700850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).