5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine

C23H27FN6O — CID 144589853

IUPAC5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine
SMILESC=CNC(C)C1=C(C)c2c(nc(Oc3cncc(F)c3)nc2N2CC(N)C3(CC3)C2)C1
InChIInChI=1S/C23H27FN6O/c1-4-27-14(3)17-8-18-20(13(17)2)21(30-11-19(25)23(12-30)5-6-23)29-22(28-18)31-16-7-15(24)9-26-10-16/h4,7,9-10,14,19,27H,1,5-6,8,11-12,25H2,2-3H3
InChIKeyQTWCJXLSCKJXQQ-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.18
Rot. Bonds6

About 5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine

5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine (PubChem CID 144589853) has the molecular formula C23H27FN6O and a molecular weight of 422.51 g/mol. Its IUPAC name is 5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound Name5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine
PubChem CID144589853
Molecular FormulaC23H27FN6O
Molecular Weight422.51 g/mol
Exact Mass422.22
IUPAC Name5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine
SMILESC=CNC(C)C1=C(C)c2c(nc(Oc3cncc(F)c3)nc2N2CC(N)C3(CC3)C2)C1
InChIInChI=1S/C23H27FN6O/c1-4-27-14(3)17-8-18-20(13(17)2)21(30-11-19(25)23(12-30)5-6-23)29-22(28-18)31-16-7-15(24)9-26-10-16/h4,7,9-10,14,19,27H,1,5-6,8,11-12,25H2,2-3H3
InChIKeyQTWCJXLSCKJXQQ-UHFFFAOYSA-N
XLogP3.18
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(7-amino-5-azaspiro[2.4]heptan-5-yl)-5-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-10-amine
CID 66550903
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-[(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-(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-[(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
(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-[(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-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(5-methylsulfanyl-3-pyridinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine
CID 155370776
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
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]-2-[2-(dimethylamino)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 155371004
(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

Frequently Asked Questions

What is the IUPAC name of 5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of 5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine (CID 144589853) is 5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for 5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for 5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine is C=CNC(C)C1=C(C)c2c(nc(Oc3cncc(F)c3)nc2N2CC(N)C3(CC3)C2)C1.
What is the InChIKey of 5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is QTWCJXLSCKJXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O/c1-4-27-14(3)17-8-18-20(13(17)2)21(30-11-19(25)23(12-30)5-6-23)29-22(28-18)31-16-7-15(24)9-26-10-16/h4,7,9-10,14,19,27H,1,5-6,8,11-12,25H2,2-3H3.
What are the key properties of 5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine?
5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine has a molecular weight of 422.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-(ethenylamino)ethyl]-2-[(5-fluoro-3-pyridinyl)oxy]-5-methyl-7H-cyclopenta[d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 144589853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).