4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine

C23H19FN6O — CID 160676238

IUPAC4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3ccc(C)nc3)nc(-c3cncc(N)c3)c1-2
InChIInChI=1S/C23H19FN6O/c1-12-3-4-16(11-28-12)31-23-29-20-8-17-18(6-14(24)7-19(17)26-2)21(20)22(30-23)13-5-15(25)10-27-9-13/h3-7,9-11,26H,8,25H2,1-2H3
InChIKeyLKWNEWCACSUBII-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.37
Rot. Bonds4

About 4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine

4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 160676238) has the molecular formula C23H19FN6O and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

Compound Name4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
PubChem CID160676238
Molecular FormulaC23H19FN6O
Molecular Weight414.44 g/mol
Exact Mass414.16
IUPAC Name4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3ccc(C)nc3)nc(-c3cncc(N)c3)c1-2
InChIInChI=1S/C23H19FN6O/c1-12-3-4-16(11-28-12)31-23-29-20-8-17-18(6-14(24)7-19(17)26-2)21(20)22(30-23)13-5-15(25)10-27-9-13/h3-7,9-11,26H,8,25H2,1-2H3
InChIKeyLKWNEWCACSUBII-UHFFFAOYSA-N
XLogP4.37
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(3-amino-4-chlorophenyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 157087564
4-[(2R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine;4-[(7R)-7-amino-2-azaspiro[3.3]heptan-2-yl]-5,6-difluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine;4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-4-pyrimidin-5-yl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 160676236
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
2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 159624025
4-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[[5-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 160996454
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-[(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-(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-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158500751
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine
CID 161028384
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
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

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine?
The IUPAC name of 4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine (CID 160676238) is 4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine.
What is the SMILES notation for 4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine?
The canonical SMILES for 4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cc(F)cc2c1Cc1nc(Oc3ccc(C)nc3)nc(-c3cncc(N)c3)c1-2.
What is the InChIKey of 4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine?
The InChIKey is LKWNEWCACSUBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O/c1-12-3-4-16(11-28-12)31-23-29-20-8-17-18(6-14(24)7-19(17)26-2)21(20)22(30-23)13-5-15(25)10-27-9-13/h3-7,9-11,26H,8,25H2,1-2H3.
What are the key properties of 4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine?
4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 414.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 160676238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).