(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

C29H34FN9O3 — CID 161223397

IUPAC(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
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)N)C4(CC4)C3)c1-2
InChIInChI=1S/C29H34FN9O3/c1-14(31)26(40)35-15(2)27(41)37-23-12-39(13-29(23)5-6-29)25-24-20-7-17(30)8-21(32-4)19(20)9-22(24)36-28(38-25)42-18-10-33-16(3)34-11-18/h7-8,10-11,14-15,23,32H,5-6,9,12-13,31H2,1-4H3,(H,35,40)(H,37,41)/t14-,15+,23-/m1/s1
InChIKeyGEYOXCQTWZEFLN-HUYGQZFBSA-N
MW575.65 g/mol
LogP2.06
Rot. Bonds8

About (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

(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 (PubChem CID 161223397) has the molecular formula C29H34FN9O3 and a molecular weight of 575.65 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID161223397
Molecular FormulaC29H34FN9O3
Molecular Weight575.65 g/mol
Exact Mass575.28
IUPAC Name(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
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)N)C4(CC4)C3)c1-2
InChIInChI=1S/C29H34FN9O3/c1-14(31)26(40)35-15(2)27(41)37-23-12-39(13-29(23)5-6-29)25-24-20-7-17(30)8-21(32-4)19(20)9-22(24)36-28(38-25)42-18-10-33-16(3)34-11-18/h7-8,10-11,14-15,23,32H,5-6,9,12-13,31H2,1-4H3,(H,35,40)(H,37,41)/t14-,15+,23-/m1/s1
InChIKeyGEYOXCQTWZEFLN-HUYGQZFBSA-N
XLogP2.06
TPSA160.28 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.65
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

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-[(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
1-[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]pyrrolidin-2-one
CID 158221828
[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-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-(1-cyclopropylpyrrolo[2,3-b]pyridin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159749933
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-[(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-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 162001826
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)N)C4(CC4)C3)c1-2.
What is the InChIKey of (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?
The InChIKey is GEYOXCQTWZEFLN-HUYGQZFBSA-N. The full InChI is InChI=1S/C29H34FN9O3/c1-14(31)26(40)35-15(2)27(41)37-23-12-39(13-29(23)5-6-29)25-24-20-7-17(30)8-21(32-4)19(20)9-22(24)36-28(38-25)42-18-10-33-16(3)34-11-18/h7-8,10-11,14-15,23,32H,5-6,9,12-13,31H2,1-4H3,(H,35,40)(H,37,41)/t14-,15+,23-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 575.65 g/mol, XLogP of 2.06, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 161223397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).