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

C30H31FN6O2 — CID 157228981

IUPAC4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one
SMILESCCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)CC1
InChIInChI=1S/C30H31FN6O2/c1-2-19-6-9-34(10-7-19)30(39)36-12-11-35-18-23(22-14-21(31)13-20(17-36)29(22)35)27-25(38)16-33-28(27)24-15-32-26-5-3-4-8-37(24)26/h3-5,8,13-15,18-19,33H,2,6-7,9-12,16-17H2,1H3
InChIKeyWBRRIRVDAMUFHU-UHFFFAOYSA-N
MW526.62 g/mol
LogP4.53
Rot. Bonds3

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

4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one (PubChem CID 157228981) has the molecular formula C30H31FN6O2 and a molecular weight of 526.62 g/mol. Its IUPAC name is 4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one
PubChem CID157228981
Molecular FormulaC30H31FN6O2
Molecular Weight526.62 g/mol
Exact Mass526.25
IUPAC Name4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one
SMILESCCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)CC1
InChIInChI=1S/C30H31FN6O2/c1-2-19-6-9-34(10-7-19)30(39)36-12-11-35-18-23(22-14-21(31)13-20(17-36)29(22)35)27-25(38)16-33-28(27)24-15-32-26-5-3-4-8-37(24)26/h3-5,8,13-15,18-19,33H,2,6-7,9-12,16-17H2,1H3
InChIKeyWBRRIRVDAMUFHU-UHFFFAOYSA-N
XLogP4.53
TPSA74.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?
The IUPAC name of 4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one (CID 157228981) is 4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?
The canonical SMILES for 4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one is CCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)CC1.
What is the InChIKey of 4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?
The InChIKey is WBRRIRVDAMUFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O2/c1-2-19-6-9-34(10-7-19)30(39)36-12-11-35-18-23(22-14-21(31)13-20(17-36)29(22)35)27-25(38)16-33-28(27)24-15-32-26-5-3-4-8-37(24)26/h3-5,8,13-15,18-19,33H,2,6-7,9-12,16-17H2,1H3.
What are the key properties of 4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?
4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one has a molecular weight of 526.62 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 157228981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).