4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine

C22H23N7O2 — CID 172959252

IUPAC4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cccc2c1Cc1nc(Oc3cccnc3)nc(N3C/C(=N\OC)C(N)C3)c1-2
InChIInChI=1S/C22H23N7O2/c1-24-17-7-3-6-14-15(17)9-18-20(14)21(29-11-16(23)19(12-29)28-30-2)27-22(26-18)31-13-5-4-8-25-10-13/h3-8,10,16,24H,9,11-12,23H2,1-2H3/b28-19+
InChIKeyABOWIAAKIXIIOS-TURZUDJPSA-N
MW417.47 g/mol
LogP2.43
Rot. Bonds5

About 4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine

4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 172959252) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

Compound Name4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
PubChem CID172959252
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cccc2c1Cc1nc(Oc3cccnc3)nc(N3C/C(=N\OC)C(N)C3)c1-2
InChIInChI=1S/C22H23N7O2/c1-24-17-7-3-6-14-15(17)9-18-20(14)21(29-11-16(23)19(12-29)28-30-2)27-22(26-18)31-13-5-4-8-25-10-13/h3-8,10,16,24H,9,11-12,23H2,1-2H3/b28-19+
InChIKeyABOWIAAKIXIIOS-TURZUDJPSA-N
XLogP2.43
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 162019129
4-[(3S,4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyrimidin-5-yloxy-9H-pyrimido[4,5-b]indol-8-amine
CID 155370751
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-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-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159009104
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-[(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-(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[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylquinolin-7-yl)sulfanyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 160601350
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-(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-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The IUPAC name of 4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine (CID 172959252) is 4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine.
What is the SMILES notation for 4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The canonical SMILES for 4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cccc2c1Cc1nc(Oc3cccnc3)nc(N3C/C(=N\OC)C(N)C3)c1-2.
What is the InChIKey of 4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The InChIKey is ABOWIAAKIXIIOS-TURZUDJPSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-24-17-7-3-6-14-15(17)9-18-20(14)21(29-11-16(23)19(12-29)28-30-2)27-22(26-18)31-13-5-4-8-25-10-13/h3-8,10,16,24H,9,11-12,23H2,1-2H3/b28-19+.
What are the key properties of 4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine?
4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 417.47 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 172959252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).