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

C30H32FN7O2 — CID 135275026

IUPAC3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
SMILESCNCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)NC4)c4cc(F)cc(c43)C2)CC1
InChIInChI=1S/C30H32FN7O2/c1-32-14-19-5-8-35(9-6-19)30(40)37-11-10-36-18-24(22-13-21(31)12-20(17-37)28(22)36)23-15-34-29(39)27(23)25-16-33-26-4-2-3-7-38(25)26/h2-4,7,12-13,16,18-19,32H,5-6,8-11,14-15,17H2,1H3,(H,34,39)
InChIKeyXIZCIKMAXYHEJR-UHFFFAOYSA-N
MW541.63 g/mol
LogP3.34
Rot. Bonds4

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

3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one (PubChem CID 135275026) has the molecular formula C30H32FN7O2 and a molecular weight of 541.63 g/mol. Its IUPAC name is 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
PubChem CID135275026
Molecular FormulaC30H32FN7O2
Molecular Weight541.63 g/mol
Exact Mass541.26
IUPAC Name3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
SMILESCNCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)NC4)c4cc(F)cc(c43)C2)CC1
InChIInChI=1S/C30H32FN7O2/c1-32-14-19-5-8-35(9-6-19)30(40)37-11-10-36-18-24(22-13-21(31)12-20(17-37)28(22)36)23-15-34-29(39)27(23)25-16-33-26-4-2-3-7-38(25)26/h2-4,7,12-13,16,18-19,32H,5-6,8-11,14-15,17H2,1H3,(H,34,39)
InChIKeyXIZCIKMAXYHEJR-UHFFFAOYSA-N
XLogP3.34
TPSA86.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.63
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-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 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one (CID 135275026) is 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one is CNCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)NC4)c4cc(F)cc(c43)C2)CC1.
What is the InChIKey of 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The InChIKey is XIZCIKMAXYHEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O2/c1-32-14-19-5-8-35(9-6-19)30(40)37-11-10-36-18-24(22-13-21(31)12-20(17-37)28(22)36)23-15-34-29(39)27(23)25-16-33-26-4-2-3-7-38(25)26/h2-4,7,12-13,16,18-19,32H,5-6,8-11,14-15,17H2,1H3,(H,34,39).
What are the key properties of 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one has a molecular weight of 541.63 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135275026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).