[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

C26H29FN8O3 — CID 160786683

IUPAC[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
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)N4CCOCC4)C3)c1-2
InChIInChI=1S/C26H29FN8O3/c1-14-30-10-16(11-31-14)38-26-32-22-9-17-18(7-15(27)8-21(17)29-2)23(22)24(33-26)35-12-19(20(28)13-35)25(36)34-3-5-37-6-4-34/h7-8,10-11,19-20,29H,3-6,9,12-13,28H2,1-2H3
InChIKeyYARLGGOGXRFYCX-UHFFFAOYSA-N
MW520.57 g/mol
LogP1.74
Rot. Bonds5

About [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

[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 (PubChem CID 160786683) has the molecular formula C26H29FN8O3 and a molecular weight of 520.57 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID160786683
Molecular FormulaC26H29FN8O3
Molecular Weight520.57 g/mol
Exact Mass520.23
IUPAC Name[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
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)N4CCOCC4)C3)c1-2
InChIInChI=1S/C26H29FN8O3/c1-14-30-10-16(11-31-14)38-26-32-22-9-17-18(7-15(27)8-21(17)29-2)23(22)24(33-26)35-12-19(20(28)13-35)25(36)34-3-5-37-6-4-34/h7-8,10-11,19-20,29H,3-6,9,12-13,28H2,1-2H3
InChIKeyYARLGGOGXRFYCX-UHFFFAOYSA-N
XLogP1.74
TPSA131.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[(2S)-1-[[(7S)-5-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]amino]-1-oxopropan-2-yl]propanamide
CID 161223397
4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]-N-methoxy-N-methylacetamide;2-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]-1-morpholin-4-ylethanone
CID 160526851
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
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-[(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-[(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-(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-[(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-[(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-(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
3-[6-fluoro-8-methyl-2-[2-(3-methylazetidin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 161128313

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)N4CCOCC4)C3)c1-2.
What is the InChIKey of [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?
The InChIKey is YARLGGOGXRFYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O3/c1-14-30-10-16(11-31-14)38-26-32-22-9-17-18(7-15(27)8-21(17)29-2)23(22)24(33-26)35-12-19(20(28)13-35)25(36)34-3-5-37-6-4-34/h7-8,10-11,19-20,29H,3-6,9,12-13,28H2,1-2H3.
What are the key properties of [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?
[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 has a molecular weight of 520.57 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 160786683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).