4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine

C24H24F2N6O — CID 160621659

IUPAC4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine
SMILESCNc1cc(F)c(F)c2c1Cc1ncc(-c3cnc(OC)nc3)c(N3CCC4(C[C@@H]4N)C3)c1-2
InChIInChI=1S/C24H24F2N6O/c1-28-16-6-15(25)21(26)19-13(16)5-17-20(19)22(32-4-3-24(11-32)7-18(24)27)14(10-29-17)12-8-30-23(33-2)31-9-12/h6,8-10,18,28H,3-5,7,11,27H2,1-2H3/t18-,24?/m0/s1
InChIKeyRGTXMADEVDUANY-VEXWJQHLSA-N
MW450.49 g/mol
LogP3.37
Rot. Bonds4

About 4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine

4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine (PubChem CID 160621659) has the molecular formula C24H24F2N6O and a molecular weight of 450.49 g/mol. Its IUPAC name is 4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine.

Molecular Properties

Compound Name4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine
PubChem CID160621659
Molecular FormulaC24H24F2N6O
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine
SMILESCNc1cc(F)c(F)c2c1Cc1ncc(-c3cnc(OC)nc3)c(N3CCC4(C[C@@H]4N)C3)c1-2
InChIInChI=1S/C24H24F2N6O/c1-28-16-6-15(25)21(26)19-13(16)5-17-20(19)22(32-4-3-24(11-32)7-18(24)27)14(10-29-17)12-8-30-23(33-2)31-9-12/h6,8-10,18,28H,3-5,7,11,27H2,1-2H3/t18-,24?/m0/s1
InChIKeyRGTXMADEVDUANY-VEXWJQHLSA-N
XLogP3.37
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine with MolForge

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Related Compounds

7-[4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxoquinolizine-3-carboxylic acid
CID 162042432
6-[4-[3-[(dimethylamino)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 159706276
6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 159939871
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-(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
6-[4-[(2S,3S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-8-(methylamino)-9H-pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 156777961
6-[5,6-difluoro-4-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 158118999
7-[4-[(2R,3S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-8-(methylamino)-9H-pyrido[2,3-b]indol-3-yl]-4-oxoquinolizine-3-carboxylic acid
CID 155775734
tert-butyl 2-[5-[3-chloro-5,6-difluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-4-yl]-5-azaspiro[2.4]heptan-2-yl]acetate
CID 158844486
6-[4-[3-(dimethylamino)piperidin-1-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 148968020
6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-(ethylamino)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 158596556
6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 159873613

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine?
The IUPAC name of 4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine (CID 160621659) is 4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine.
What is the SMILES notation for 4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine?
The canonical SMILES for 4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine is CNc1cc(F)c(F)c2c1Cc1ncc(-c3cnc(OC)nc3)c(N3CCC4(C[C@@H]4N)C3)c1-2.
What is the InChIKey of 4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine?
The InChIKey is RGTXMADEVDUANY-VEXWJQHLSA-N. The full InChI is InChI=1S/C24H24F2N6O/c1-28-16-6-15(25)21(26)19-13(16)5-17-20(19)22(32-4-3-24(11-32)7-18(24)27)14(10-29-17)12-8-30-23(33-2)31-9-12/h6,8-10,18,28H,3-5,7,11,27H2,1-2H3/t18-,24?/m0/s1.
What are the key properties of 4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine?
4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine has a molecular weight of 450.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-3-(2-methoxypyrimidin-5-yl)-N-methyl-9H-indeno[2,1-b]pyridin-8-amine is sourced from PubChem (CID 160621659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).