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

C28H28FN7O — CID 159749933

IUPAC4-[(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
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cnc4c(ccn4C4CC4)c3)nc(N3C[C@H](N)C4(CC4)C3)c1-2
InChIInChI=1S/C28H28FN7O/c1-31-21-10-16(29)9-20-19(21)11-22-24(20)26(35-13-23(30)28(14-35)5-6-28)34-27(33-22)37-18-8-15-4-7-36(17-2-3-17)25(15)32-12-18/h4,7-10,12,17,23,31H,2-3,5-6,11,13-14,30H2,1H3/t23-/m0/s1
InChIKeyKMUMROCOHLLBIW-QHCPKHFHSA-N
MW497.58 g/mol
LogP4.63
Rot. Bonds5

About 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

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 (PubChem CID 159749933) has the molecular formula C28H28FN7O and a molecular weight of 497.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID159749933
Molecular FormulaC28H28FN7O
Molecular Weight497.58 g/mol
Exact Mass497.23
IUPAC Name4-[(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
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cnc4c(ccn4C4CC4)c3)nc(N3C[C@H](N)C4(CC4)C3)c1-2
InChIInChI=1S/C28H28FN7O/c1-31-21-10-16(29)9-20-19(21)11-22-24(20)26(35-13-23(30)28(14-35)5-6-28)34-27(33-22)37-18-8-15-4-7-36(17-2-3-17)25(15)32-12-18/h4,7-10,12,17,23,31H,2-3,5-6,11,13-14,30H2,1H3/t23-/m0/s1
InChIKeyKMUMROCOHLLBIW-QHCPKHFHSA-N
XLogP4.63
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-[(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-[(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-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-[(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-(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
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-(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
(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
(7R)-5-[2-[2-[3-(cyclopropylmethyl-methylidene-oxo-λ6-sulfanyl)azetidin-1-yl]pyrimidin-5-yl]oxy-6-fluoro-8-methyl-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine
CID 158221831
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1cc(F)cc2c1Cc1nc(Oc3cnc4c(ccn4C4CC4)c3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.
What is the InChIKey of 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?
The InChIKey is KMUMROCOHLLBIW-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H28FN7O/c1-31-21-10-16(29)9-20-19(21)11-22-24(20)26(35-13-23(30)28(14-35)5-6-28)34-27(33-22)37-18-8-15-4-7-36(17-2-3-17)25(15)32-12-18/h4,7-10,12,17,23,31H,2-3,5-6,11,13-14,30H2,1H3/t23-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 497.58 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159749933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).