4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one

C29H28FN7O2 — CID 135275123

IUPAC4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
SMILESCN1CC2CC1CN2C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)CNC3=O)c3cc(F)cc(c32)C1
InChIInChI=1S/C29H28FN7O2/c1-33-14-20-10-19(33)15-37(20)29(39)35-7-6-34-16-23(21-9-18(30)8-17(13-35)27(21)34)26-22(11-32-28(26)38)24-12-31-25-4-2-3-5-36(24)25/h2-5,8-9,12,16,19-20H,6-7,10-11,13-15H2,1H3,(H,32,38)
InChIKeyUZIDXQKIPNCNTQ-UHFFFAOYSA-N
MW525.59 g/mol
LogP2.79
Rot. Bonds2

About 4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one

4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one (PubChem CID 135275123) has the molecular formula C29H28FN7O2 and a molecular weight of 525.59 g/mol. Its IUPAC name is 4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
PubChem CID135275123
Molecular FormulaC29H28FN7O2
Molecular Weight525.59 g/mol
Exact Mass525.23
IUPAC Name4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
SMILESCN1CC2CC1CN2C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)CNC3=O)c3cc(F)cc(c32)C1
InChIInChI=1S/C29H28FN7O2/c1-33-14-20-10-19(33)15-37(20)29(39)35-7-6-34-16-23(21-9-18(30)8-17(13-35)27(21)34)26-22(11-32-28(26)38)24-12-31-25-4-2-3-5-36(24)25/h2-5,8-9,12,16,19-20H,6-7,10-11,13-15H2,1H3,(H,32,38)
InChIKeyUZIDXQKIPNCNTQ-UHFFFAOYSA-N
XLogP2.79
TPSA78.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one (CID 135275123) is 4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one is CN1CC2CC1CN2C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)CNC3=O)c3cc(F)cc(c32)C1.
What is the InChIKey of 4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The InChIKey is UZIDXQKIPNCNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN7O2/c1-33-14-20-10-19(33)15-37(20)29(39)35-7-6-34-16-23(21-9-18(30)8-17(13-35)27(21)34)26-22(11-32-28(26)38)24-12-31-25-4-2-3-5-36(24)25/h2-5,8-9,12,16,19-20H,6-7,10-11,13-15H2,1H3,(H,32,38).
What are the key properties of 4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one has a molecular weight of 525.59 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135275123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).