2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide

C28H29FN6O3 — CID 135271512

IUPAC2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide
SMILESO=C(Cc1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2)NCC(=O)c1cnc2ccccn12
InChIInChI=1S/C28H29FN6O3/c29-21-12-20-18-34(28(38)32-7-3-1-4-8-32)11-10-33-17-19(22(14-21)27(20)33)13-26(37)31-16-24(36)23-15-30-25-6-2-5-9-35(23)25/h2,5-6,9,12,14-15,17H,1,3-4,7-8,10-11,13,16,18H2,(H,31,37)
InChIKeyDAYJNMSDPFXILL-UHFFFAOYSA-N
MW516.58 g/mol
LogP3.39
Rot. Bonds5

About 2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide

2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide (PubChem CID 135271512) has the molecular formula C28H29FN6O3 and a molecular weight of 516.58 g/mol. Its IUPAC name is 2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide.

Molecular Properties

Compound Name2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide
PubChem CID135271512
Molecular FormulaC28H29FN6O3
Molecular Weight516.58 g/mol
Exact Mass516.23
IUPAC Name2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide
SMILESO=C(Cc1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2)NCC(=O)c1cnc2ccccn12
InChIInChI=1S/C28H29FN6O3/c29-21-12-20-18-34(28(38)32-7-3-1-4-8-32)11-10-33-17-19(22(14-21)27(20)33)13-26(37)31-16-24(36)23-15-30-25-6-2-5-9-35(23)25/h2,5-6,9,12,14-15,17H,1,3-4,7-8,10-11,13,16,18H2,(H,31,37)
InChIKeyDAYJNMSDPFXILL-UHFFFAOYSA-N
XLogP3.39
TPSA91.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.58
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide with MolForge

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Related Compounds

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CID 10029385
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CID 56834890
(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
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CID 44437220
N-(1H-benzimidazol-2-yl)-3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indole-7-carboxamide
CID 507859
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(2-pyridyl)-1H-indole-7-carboxamide
CID 507860
1-[7-(1H-benzimidazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507883
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-imidazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507893
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958791
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
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CID 68781557

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide?
The IUPAC name of 2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide (CID 135271512) is 2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide.
What is the SMILES notation for 2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide?
The canonical SMILES for 2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide is O=C(Cc1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2)NCC(=O)c1cnc2ccccn12.
What is the InChIKey of 2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide?
The InChIKey is DAYJNMSDPFXILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O3/c29-21-12-20-18-34(28(38)32-7-3-1-4-8-32)11-10-33-17-19(22(14-21)27(20)33)13-26(37)31-16-24(36)23-15-30-25-6-2-5-9-35(23)25/h2,5-6,9,12,14-15,17H,1,3-4,7-8,10-11,13,16,18H2,(H,31,37).
What are the key properties of 2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide?
2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide has a molecular weight of 516.58 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-N-(2-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl)acetamide is sourced from PubChem (CID 135271512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).