5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one

C30H27F2N3O3 — CID 144586703

IUPAC5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
SMILESO=C(N1CCC(CN2C(=O)C3(CC3)N=C2c2ccc(-c3ccc4cc(F)ccc4c3)cc2F)C1)C1(O)CC1
InChIInChI=1S/C30H27F2N3O3/c31-23-5-3-20-13-19(1-2-21(20)14-23)22-4-6-24(25(32)15-22)26-33-29(8-9-29)27(36)35(26)17-18-7-12-34(16-18)28(37)30(38)10-11-30/h1-6,13-15,18,38H,7-12,16-17H2
InChIKeyMPAGBBDTKAUZPD-UHFFFAOYSA-N
MW515.56 g/mol
LogP4.28
Rot. Bonds5

About 5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one

5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one (PubChem CID 144586703) has the molecular formula C30H27F2N3O3 and a molecular weight of 515.56 g/mol. Its IUPAC name is 5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one.

Molecular Properties

Compound Name5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
PubChem CID144586703
Molecular FormulaC30H27F2N3O3
Molecular Weight515.56 g/mol
Exact Mass515.20
IUPAC Name5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
SMILESO=C(N1CCC(CN2C(=O)C3(CC3)N=C2c2ccc(-c3ccc4cc(F)ccc4c3)cc2F)C1)C1(O)CC1
InChIInChI=1S/C30H27F2N3O3/c31-23-5-3-20-13-19(1-2-21(20)14-23)22-4-6-24(25(32)15-22)26-33-29(8-9-29)27(36)35(26)17-18-7-12-34(16-18)28(37)30(38)10-11-30/h1-6,13-15,18,38H,7-12,16-17H2
InChIKeyMPAGBBDTKAUZPD-UHFFFAOYSA-N
XLogP4.28
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
The IUPAC name of 5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one (CID 144586703) is 5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one.
What is the SMILES notation for 5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
The canonical SMILES for 5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one is O=C(N1CCC(CN2C(=O)C3(CC3)N=C2c2ccc(-c3ccc4cc(F)ccc4c3)cc2F)C1)C1(O)CC1.
What is the InChIKey of 5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
The InChIKey is MPAGBBDTKAUZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N3O3/c31-23-5-3-20-13-19(1-2-21(20)14-23)22-4-6-24(25(32)15-22)26-33-29(8-9-29)27(36)35(26)17-18-7-12-34(16-18)28(37)30(38)10-11-30/h1-6,13-15,18,38H,7-12,16-17H2.
What are the key properties of 5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one has a molecular weight of 515.56 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-6-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]hept-4-en-7-one is sourced from PubChem (CID 144586703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).