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

C28H29FN6O3 — CID 135271507

IUPACN-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide
SMILESO=C(Cc1cnc2ccccn12)NCC(=O)c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2
InChIInChI=1S/C28H29FN6O3/c29-20-12-19-17-34(28(38)32-7-3-1-4-8-32)11-10-33-18-23(22(13-20)27(19)33)24(36)16-31-26(37)14-21-15-30-25-6-2-5-9-35(21)25/h2,5-6,9,12-13,15,18H,1,3-4,7-8,10-11,14,16-17H2,(H,31,37)
InChIKeyXKZJNNJEBLVBJZ-UHFFFAOYSA-N
MW516.58 g/mol
LogP3.39
Rot. Bonds5

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

N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide (PubChem CID 135271507) has the molecular formula C28H29FN6O3 and a molecular weight of 516.58 g/mol. Its IUPAC name is N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide
PubChem CID135271507
Molecular FormulaC28H29FN6O3
Molecular Weight516.58 g/mol
Exact Mass516.23
IUPAC NameN-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide
SMILESO=C(Cc1cnc2ccccn12)NCC(=O)c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2
InChIInChI=1S/C28H29FN6O3/c29-20-12-19-17-34(28(38)32-7-3-1-4-8-32)11-10-33-18-23(22(13-20)27(19)33)24(36)16-31-26(37)14-21-15-30-25-6-2-5-9-35(21)25/h2,5-6,9,12-13,15,18H,1,3-4,7-8,10-11,14,16-17H2,(H,31,37)
InChIKeyXKZJNNJEBLVBJZ-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 N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide?
The IUPAC name of N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide (CID 135271507) is N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide?
The canonical SMILES for N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide is O=C(Cc1cnc2ccccn12)NCC(=O)c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2.
What is the InChIKey of N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide?
The InChIKey is XKZJNNJEBLVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O3/c29-20-12-19-17-34(28(38)32-7-3-1-4-8-32)11-10-33-18-23(22(13-20)27(19)33)24(36)16-31-26(37)14-21-15-30-25-6-2-5-9-35(21)25/h2,5-6,9,12-13,15,18H,1,3-4,7-8,10-11,14,16-17H2,(H,31,37).
What are the key properties of N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide?
N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide 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 N-[2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-oxoethyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide is sourced from PubChem (CID 135271507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).