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

C24H24FN9O — CID 160996454

IUPAC4-[(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
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cncc(-c4ncnn4C)c3)nc(N3CC[C@@H](N)C3)c1-2
InChIInChI=1S/C24H24FN9O/c1-27-19-7-14(25)6-18-17(19)8-20-21(18)23(34-4-3-15(26)11-34)32-24(31-20)35-16-5-13(9-28-10-16)22-29-12-30-33(22)2/h5-7,9-10,12,15,27H,3-4,8,11,26H2,1-2H3/t15-/m1/s1
InChIKeyGRQJKEXNBVGQBX-OAHLLOKOSA-N
MW473.52 g/mol
LogP2.75
Rot. Bonds5

About 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

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 (PubChem CID 160996454) has the molecular formula C24H24FN9O and a molecular weight of 473.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID160996454
Molecular FormulaC24H24FN9O
Molecular Weight473.52 g/mol
Exact Mass473.21
IUPAC Name4-[(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
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cncc(-c4ncnn4C)c3)nc(N3CC[C@@H](N)C3)c1-2
InChIInChI=1S/C24H24FN9O/c1-27-19-7-14(25)6-18-17(19)8-20-21(18)23(34-4-3-15(26)11-34)32-24(31-20)35-16-5-13(9-28-10-16)22-29-12-30-33(22)2/h5-7,9-10,12,15,27H,3-4,8,11,26H2,1-2H3/t15-/m1/s1
InChIKeyGRQJKEXNBVGQBX-OAHLLOKOSA-N
XLogP2.75
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-(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-(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-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159611744
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
[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-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 160676238
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
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-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159301015
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-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1-cyclopropylpyrrolo[2,3-b]pyridin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159749933

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1cc(F)cc2c1Cc1nc(Oc3cncc(-c4ncnn4C)c3)nc(N3CC[C@@H](N)C3)c1-2.
What is the InChIKey of 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?
The InChIKey is GRQJKEXNBVGQBX-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24FN9O/c1-27-19-7-14(25)6-18-17(19)8-20-21(18)23(34-4-3-15(26)11-34)32-24(31-20)35-16-5-13(9-28-10-16)22-29-12-30-33(22)2/h5-7,9-10,12,15,27H,3-4,8,11,26H2,1-2H3/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 473.52 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160996454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).